Merge remote-tracking branch 'origin/development' into stress-ramp-loadcase
This commit is contained in:
commit
c6c34ccf7e
|
@ -141,13 +141,6 @@ Pre_General:
|
|||
- release
|
||||
|
||||
###################################################################################################
|
||||
Post_ASCIItable:
|
||||
stage: postprocessing
|
||||
script: ASCIItable/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
Post_General:
|
||||
stage: postprocessing
|
||||
script: PostProcessing/test.py
|
||||
|
|
2
PRIVATE
2
PRIVATE
|
@ -1 +1 @@
|
|||
Subproject commit 92ca3e83b6093c1af277cfc06a504e4bb09fe8bc
|
||||
Subproject commit 555f3e01f2b5cf43ade1bd48423b890adca21771
|
|
@ -4,7 +4,7 @@
|
|||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=/nethome/f.roters/temp/msc/marc2018.1
|
||||
DIR=/tmp/msc/marc2018.1
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
|
|
|
@ -4,7 +4,7 @@
|
|||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=/nethome/storage/raid3/f.roters/Software/MSC/Marc2018-RH7.1/marc2018
|
||||
DIR=/tmp/msc/marc2018
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
|
|
|
@ -4,7 +4,7 @@
|
|||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=/nethome/f.roters/temp/msc/marc2019.1
|
||||
DIR=/tmp/msc/marc2019.1
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
|
|
|
@ -4,7 +4,7 @@
|
|||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=/nethome/f.roters/temp/msc/marc2019
|
||||
DIR=/tmp/msc/marc2019
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
|
|
|
@ -0,0 +1,53 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
DIR=$1
|
||||
user=$3
|
||||
program=$4
|
||||
usernoext=$user
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||
|
||||
# add BLAS options for linking
|
||||
BLAS="%BLAS%"
|
||||
|
||||
. $DIR/tools/include
|
||||
DIRJOB=$2
|
||||
cd $DIRJOB
|
||||
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||
echo "program: $program"
|
||||
$DFORTHIGHMP $user || \
|
||||
{
|
||||
echo "$0: compile failed for $user"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$usernoext.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$BLAS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
||||
/bin/rm $DIRJOB/*.mod
|
||||
/bin/rm $DIRJOB/*.smod
|
|
@ -0,0 +1,53 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
DIR=$1
|
||||
user=$3
|
||||
program=$4
|
||||
usernoext=$user
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||
|
||||
# add BLAS options for linking
|
||||
BLAS="%BLAS%"
|
||||
|
||||
. $DIR/tools/include
|
||||
DIRJOB=$2
|
||||
cd $DIRJOB
|
||||
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||
echo "program: $program"
|
||||
$DFORTRANLOWMP $user || \
|
||||
{
|
||||
echo "$0: compile failed for $user"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$usernoext.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$BLAS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
||||
/bin/rm $DIRJOB/*.mod
|
||||
/bin/rm $DIRJOB/*.smod
|
|
@ -0,0 +1,53 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
DIR=$1
|
||||
user=$3
|
||||
program=$4
|
||||
usernoext=$user
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||
|
||||
# add BLAS options for linking
|
||||
BLAS="%BLAS%"
|
||||
|
||||
. $DIR/tools/include
|
||||
DIRJOB=$2
|
||||
cd $DIRJOB
|
||||
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||
echo "program: $program"
|
||||
$DFORTRANMP $user || \
|
||||
{
|
||||
echo "$0: compile failed for $user"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$usernoext.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$BLAS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
||||
/bin/rm $DIRJOB/*.mod
|
||||
/bin/rm $DIRJOB/*.smod
|
|
@ -0,0 +1,41 @@
|
|||
#!/bin/ksh
|
||||
# 1st arg: $DIR
|
||||
# 2nd arg: $DIRJOB
|
||||
# 3rd arg: $user
|
||||
# 4th arg: $program
|
||||
DIR=$1
|
||||
user=$3
|
||||
program=$4
|
||||
. $DIR/tools/include
|
||||
DIRJOB=$2
|
||||
cd $DIRJOB
|
||||
echo "Compiling and linking user subroutine $user.f on host `hostname`"
|
||||
echo "program: $program"
|
||||
$FORTRAN $user.f || \
|
||||
{
|
||||
echo "$0: compile failed for $user.f"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $program 2>/dev/null
|
||||
userobj=$user.o
|
||||
|
||||
|
||||
$LOAD ${program} $DIR/lib/main.o\
|
||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||
${userobj-} \
|
||||
$DIR/lib/srclib.a \
|
||||
$MNFLIBS \
|
||||
$MDUSER \
|
||||
../lib/mdsrc.a \
|
||||
../lib/mcvfit.a \
|
||||
$STUBS \
|
||||
${SOLVERLIBS} \
|
||||
$TKLIBS \
|
||||
$MRCLIBS \
|
||||
$METISLIBS \
|
||||
$SYSLIBS || \
|
||||
{
|
||||
echo "$0: link failed for $user.o on host `hostname`"
|
||||
exit 1
|
||||
}
|
||||
/bin/rm $userobj
|
|
@ -0,0 +1,814 @@
|
|||
#
|
||||
# General definitions for the Marc 2020 version
|
||||
#
|
||||
# EM64T
|
||||
#
|
||||
# Linux RedHat 7.3 / SuSE 12 SP1
|
||||
#
|
||||
# 64 bit MPI version
|
||||
#
|
||||
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
|
||||
#
|
||||
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
|
||||
#
|
||||
# To check the O/S level, type:
|
||||
# uname -a
|
||||
#
|
||||
# Distributed parallel MPI libraries:
|
||||
# Intel MPI 2019 Update 4
|
||||
# To check the mpi version, type:
|
||||
# mpiexec.hydra -version
|
||||
#
|
||||
# To check the Compiler level, type using the compiler
|
||||
# installation path:
|
||||
# ifort -V
|
||||
# icc -V
|
||||
#
|
||||
# REMARKS : This file contains the definitions of variables used during
|
||||
# compilation loading and use of the MARC programmes . The
|
||||
# current machine type is identified by means of the variable
|
||||
# MACHINE , defined below.
|
||||
#
|
||||
#
|
||||
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
||||
# DIRJOB : directory in which spawned jobs should look for Marc input
|
||||
# MPI_ARCH: system architecture
|
||||
# MPI_EPATH: path where executable resides
|
||||
#
|
||||
REVISION="VERSION, BUILD"
|
||||
HOSTNAME=`hostname`
|
||||
|
||||
# find available memory in Mbyte on the machine
|
||||
# can be set explicitly
|
||||
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
||||
|
||||
# set _OEM_NASTRAN to 1 for MD Nastran build
|
||||
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
||||
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
||||
|
||||
# uncomment the following line for an autoforge build
|
||||
#AUTOFORGE=1
|
||||
AUTOFORGE=0
|
||||
export AUTOFORGE
|
||||
|
||||
# integer size
|
||||
if test "$MARC_INTEGER_SIZE" = "" ; then
|
||||
INTEGER_PATH=
|
||||
else
|
||||
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
||||
fi
|
||||
|
||||
FCOMP=ifort
|
||||
INTELPATH="/opt/intel/compilers_and_libraries_2019/linux"
|
||||
|
||||
# find the root directory of the compiler installation:
|
||||
# - if ifort is found in $PATH, then the root directory is derived
|
||||
# from the path to ifort
|
||||
# - if ifort is not found in $PATH, the root directory is assumed
|
||||
# to be $INTELPATH and the directory in which ifort is found is
|
||||
# added to $PATH
|
||||
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
||||
if test -n "$FCOMPPATH"; then
|
||||
# derive the root directory from $FCOMPPATH
|
||||
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
||||
fi
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT=
|
||||
fi
|
||||
elif test -d "$INTELPATH"; then
|
||||
# check for compiler in $INTELPATH
|
||||
if test -d "$INTELPATH/bin/intel64" -a \
|
||||
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin/intel64:$PATH"
|
||||
elif test -d "$INTELPATH/bin" -a \
|
||||
-x "$INTELPATH/bin/$FCOMP"; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin:$PATH"
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
|
||||
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
||||
H5FC="$(h5fc -shlib -show)"
|
||||
HDF5_LIB=${H5FC//ifort/}
|
||||
FCOMP="$H5FC -DDAMASK_HDF5"
|
||||
|
||||
# AEM
|
||||
if test "$MARCDLLOUTDIR" = ""; then
|
||||
DLLOUTDIR="$MARC_LIB"
|
||||
else
|
||||
DLLOUTDIR="$MARCDLLOUTDIR"
|
||||
fi
|
||||
|
||||
# settings for MKL
|
||||
if test "$IMKLDIR" = ""; then
|
||||
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
||||
else
|
||||
MARC_MKL=$IMKLDIR/lib/intel64
|
||||
fi
|
||||
|
||||
#
|
||||
# settings for Metis
|
||||
#
|
||||
METIS="-I$METIS_SOURCE/include"
|
||||
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
|
||||
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
# RCP and RSH are used for parallel network runs
|
||||
# replace with similar commands like rsh if needed
|
||||
RCP=/usr/bin/scp
|
||||
RSH=/usr/bin/ssh
|
||||
#
|
||||
|
||||
|
||||
MPI_DEFAULT=intelmpi
|
||||
MPI_OTHER=
|
||||
|
||||
MPITYPE=$MPI_DEFAULT
|
||||
|
||||
if test $AUTOFORGE
|
||||
then
|
||||
if test $AUTOFORGE = 1
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
fi
|
||||
|
||||
|
||||
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
||||
if test $MARC_MPITYPE
|
||||
then
|
||||
MPITYPE=$MARC_MPITYPE
|
||||
fi
|
||||
|
||||
# always set MPITYPE to none for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
|
||||
# Edit following lines to build with GPGPU version of BCS Solver for
|
||||
# NVIDIA platforms
|
||||
#BCSGPUSOLVER=NONE
|
||||
BCSGPUSOLVER=BCSGPU
|
||||
|
||||
# Edit following lines to build solver 2 with GPU support
|
||||
SOLVER2GPU=GPU
|
||||
#SOLVER2GPU=NONE
|
||||
|
||||
# Edit following lines to set the openssl library
|
||||
if test "$OPENSSL" != "NONE"
|
||||
then
|
||||
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
||||
fi
|
||||
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
||||
|
||||
MARCHDF_HDF=HDF
|
||||
#MARCHDF_HDF=NONE
|
||||
|
||||
# activate contact component build if flagged
|
||||
AEM_DLL=0
|
||||
if test "$AEM_BUILD" = "ON" ; then
|
||||
AEM_DLL=1
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
EXT_DLL="so"
|
||||
MPITYPE=none
|
||||
MPI_OTHER=
|
||||
MARCHDF_HDF=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
|
||||
if test "$MARCHDF_HDF" = "HDF"; then
|
||||
HDF_INCLUDE="-I$MARC_HDF/include"
|
||||
HDF_LIBS="$MARC_LIB/libhdf5_fortran.so.100 $MARC_LIB/libhdf5.so.103"
|
||||
fi
|
||||
|
||||
SOLVERFLAGS=
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
||||
BCS_DIR=bcsgpusolver
|
||||
else
|
||||
BCS_DIR=bcssolver
|
||||
fi
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
DDM=
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
INTELMPI_VERSION=HYDRA
|
||||
FCOMPMPI=mpiifort
|
||||
if test -n "$MARC_INTELMPI" ; then
|
||||
MPI_ROOT=$MARC_INTELMPI
|
||||
else
|
||||
MPI_ROOT=/opt/intel/compilers_and_libraries_2019/linux/mpi/intel64
|
||||
MARC_INTELMPI=$MPI_ROOT
|
||||
fi
|
||||
DDM="-I${MPI_ROOT}/include -DDDM"
|
||||
PATH=$MPI_ROOT/bin:$PATH
|
||||
export PATH
|
||||
LD_LIBRARY_PATH=$MPI_ROOT/lib:$MPI_ROOT/lib/release:$MPI_ROOT/libfabric/lib:$LD_LIBRARY_PATH
|
||||
export LD_LIBRARY_PATH
|
||||
if test $INTELMPI_VERSION = HYDRA
|
||||
then
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
|
||||
else
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
|
||||
fi
|
||||
RUN_JOB0=
|
||||
MPI_CLEAN=
|
||||
MPI_EPATH=$MARC_BIN
|
||||
MPIR_HOME=$MPI_ROOT
|
||||
MPICH_F77=$FCOMP
|
||||
MPICH_F77LINKER=$FCOMP
|
||||
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
||||
FI_PROVIDER_PATH=$MPI_ROOT/libfabric/lib/prov
|
||||
export FI_PROVIDER_PATH
|
||||
fi
|
||||
else
|
||||
MPI_ROOT=$MARC_DUMMYMPI
|
||||
export MPI_ROOT=$MARC_DUMMYMPI
|
||||
DDM="-I$MPI_ROOT/include"
|
||||
fi
|
||||
|
||||
#
|
||||
# variables for the "maintain" script
|
||||
#
|
||||
|
||||
MACHINENAME=LINUX
|
||||
MACHINE64BIT=yes
|
||||
MACHINE=Linux_EM64T
|
||||
DEV=/dev/tape
|
||||
GETLOG="whoami"
|
||||
CLEAR="clear"
|
||||
MY_UNAME=`uname -a`
|
||||
|
||||
# Edit following 2 lines to build with VKI Solver
|
||||
#VKISOLVER=VKI
|
||||
VKISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with CASI Solver
|
||||
CASISOLVER=CASI
|
||||
if test "$MARC_CASISOLVER" = "NONE" ; then
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
#CASISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with MF2 Solver
|
||||
MF2SOLVER=NONE
|
||||
#MF2SOLVER=SERIAL
|
||||
#MF2SOLVER=MF2PARALLEL
|
||||
|
||||
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
||||
#INTELSOLVER=NONE
|
||||
INTELSOLVER=PARDISO
|
||||
|
||||
# Edit following lines to build with MUMPS
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
else
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
fi
|
||||
|
||||
# Edit following 2 lines to build MARC dynamic shared library
|
||||
MARC_DLL=MARC_DLL
|
||||
MARC_DLL=NONE
|
||||
|
||||
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
MARC_DLL=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
fi
|
||||
|
||||
#
|
||||
# define Fortran and C compile syntax
|
||||
#
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
||||
fi
|
||||
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
||||
fi
|
||||
if test "$MF2SOLVER" = MF2SERIAL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
||||
fi
|
||||
|
||||
if test "$INTELSOLVER" = PARDISO
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
||||
fi
|
||||
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
||||
fi
|
||||
|
||||
if test "$SOLVER2GPU" = GPU
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DSOLVER2GPU"
|
||||
fi
|
||||
|
||||
LINK_OPT=
|
||||
DEBUG_OPT=
|
||||
C_DEBUG_OPT=
|
||||
|
||||
#Uncomment following line to build Marc in debuggable mode
|
||||
MARCDEBUG=
|
||||
#MARCDEBUG="ON"
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
LINK_OPT="-debug -traceback"
|
||||
DEBUG_OPT="-debug -traceback"
|
||||
C_DEBUG_OPT="-debug -traceback"
|
||||
fi
|
||||
|
||||
|
||||
MARCCHECK=
|
||||
#MARCCHECK="ON"
|
||||
if test "$MARCCHECK" = "ON"
|
||||
then
|
||||
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
||||
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
||||
fi
|
||||
|
||||
MARCCODECOV=
|
||||
#MARCCODECOV="ON"
|
||||
|
||||
MARCCODEPROF=
|
||||
#MARCCODEPROF="ON"
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
I8FFLAGS=
|
||||
I8DEFINES=
|
||||
I8CDEFINES=
|
||||
else
|
||||
I8FFLAGS="-i8 -integer-size 64"
|
||||
I8DEFINES="-DI64 -DINT=8"
|
||||
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
||||
fi
|
||||
|
||||
MTHREAD=OPENMP
|
||||
if test "$MARC_OPENMP" = "NONE" ; then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
#MTHREAD=NONE
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
MTHREAD=NONE
|
||||
CASISOLVER=NONE
|
||||
VKISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
OPENSSL_LIB=
|
||||
MARC_DLL=NONE
|
||||
METISLIBS=
|
||||
fi
|
||||
|
||||
OMP_COMPAT=NO
|
||||
OMP_COMPAT=YES
|
||||
if test "$MTHREAD" = "NONE"
|
||||
then
|
||||
OMP_COMPAT=NO
|
||||
fi
|
||||
|
||||
CDEFINES=
|
||||
FDEFINES=
|
||||
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
||||
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
||||
fi
|
||||
|
||||
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
||||
|
||||
if test "$_OEM_NASTRAN" -eq 0
|
||||
then
|
||||
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
||||
fi
|
||||
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
||||
fi
|
||||
|
||||
# -D_MSCMARC
|
||||
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
||||
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
|
||||
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
|
||||
fi
|
||||
|
||||
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS -I$LAPI_IMPORTS/common/include"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CINCL="$CINCL -I../../include"
|
||||
fi
|
||||
|
||||
CC_OPT=
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
CC_OPT=" $CC_OPT -qopenmp"
|
||||
fi
|
||||
|
||||
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
fi
|
||||
|
||||
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
|
||||
CCT="$CC"
|
||||
CCTLOW="$CCLOW"
|
||||
CCTHIGH="$CCHIGH"
|
||||
|
||||
#PROFILE="-Mprof=func"
|
||||
#PROFILE="-Mprof=lines"
|
||||
#PROFILE="-Mprof=func,mpi"
|
||||
PROFILE=
|
||||
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
|
||||
if test "$MARCCODECOV" = "ON"
|
||||
then
|
||||
PROFILE="-prof-gen=srcpos"
|
||||
fi
|
||||
if test "$MARCCODEPROF" = "ON"
|
||||
then
|
||||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
||||
fi
|
||||
else
|
||||
# FORT_OPT=" $FORT_OPT -auto "
|
||||
FORT_OPT=" $FORT_OPT -save -zero"
|
||||
fi
|
||||
if test "$MARCHDF_HDF" = "HDF"; then
|
||||
FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF_HDF"
|
||||
fi
|
||||
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
# for compiling free form f90 files. high opt, integer(4)
|
||||
FORTF90="$FCOMP -c -O3"
|
||||
|
||||
# determine DAMASK version
|
||||
if test -n "$DAMASK_USER"; then
|
||||
DAMASKROOT=`dirname $DAMASK_USER`/..
|
||||
read DAMASKVERSION < $DAMASKROOT/VERSION
|
||||
DAMASKVERSION="'"$DAMASKVERSION"'"
|
||||
else
|
||||
DAMASKVERSION="'N/A'"
|
||||
fi
|
||||
|
||||
|
||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||
DFORTLOWMP="$FCOMP -c -O0 -qno-offload -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2019 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTRANMP="$FCOMP -c -O1 -qno-offload -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2019 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
DFORTHIGHMP="$FCOMP -c -O3 -qno-offload -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2019 -DDAMASKVERSION=$DAMASKVERSION \
|
||||
-qopenmp -qopenmp-threadprivate=compat\
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
fi
|
||||
|
||||
FORTLOWT="$FORTLOW"
|
||||
FORTRANT="$FORTRAN"
|
||||
FORTHIGHT="$FORTHIGH"
|
||||
|
||||
FORTRANMNF="$FCOMP -c $FDEFINES "
|
||||
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
||||
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
|
||||
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
LOAD="ifort $PROFILE $LINK_OPT -o "
|
||||
LOADT="ifort $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
else
|
||||
LOAD="$FCOMP $LINK_OPT -o "
|
||||
LOADT="$FCOMP $LINK_OPT -o "
|
||||
fi
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
|
||||
XLIBS="-L/usr/X11/lib -lX11 "
|
||||
|
||||
#
|
||||
# define archive and ranlib syntax
|
||||
#
|
||||
|
||||
ARC="ar rvl"
|
||||
ARD="ar dvl"
|
||||
ARX="ar xl"
|
||||
RAN=""
|
||||
|
||||
#
|
||||
# choose which libraries you want to use ( e.g. blas )
|
||||
#
|
||||
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
||||
else
|
||||
VKISOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
|
||||
else
|
||||
CASISOLVERLIBS=
|
||||
fi
|
||||
|
||||
MF2SOLVERLIBS=
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
||||
$MARC_LIB/mf2parallel/libsym.a \
|
||||
$MARC_LIB/mf2parallel/libmet.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libnum.a \
|
||||
$MARC_LIB/mf2parallel/libutl.a \
|
||||
$MARC_LIB/mf2parallel/libr8.a \
|
||||
$MARC_LIB/mf2parallel/libz.a "
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
|
||||
if test $MPITYPE = none
|
||||
then
|
||||
MUMPSSOLVERLIBS2=
|
||||
echo hello > /dev/null
|
||||
fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_intelmpi.a"
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
||||
fi
|
||||
fi
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_hpmpi.a"
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
|
||||
fi
|
||||
fi
|
||||
else
|
||||
MUMPSSOLVERLIBS=
|
||||
MUMPSSOLVERLIBS2=
|
||||
fi
|
||||
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
|
||||
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
|
||||
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
|
||||
MARCCUDALIBS=$MARCCUDALIBS1
|
||||
else
|
||||
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
||||
fi
|
||||
|
||||
SOLVER2LIBS=
|
||||
if test "$SOLVER2GPU" = GPU
|
||||
then
|
||||
SOLVER2LIBS="-L$MARC_LIB/cuda_dummy -lsolver2gpu"
|
||||
fi
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
BCSSOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
else
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
fi
|
||||
|
||||
SECLIBS="-L$MARC_LIB -llapi"
|
||||
|
||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $HDF5_LIB $SOLVER2LIBS"
|
||||
|
||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
|
||||
fi
|
||||
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
||||
MRCLIBSPAR="$MARC_LIB/clib.a"
|
||||
STUBS="$MARC_LIB/stubs.a "
|
||||
MNFLIBS="$MARC_LIB/libmnf.a"
|
||||
MDUSER="$MARC_LIB/md_user.a"
|
||||
if test "X$MARC_SIMUFACT" != "X"
|
||||
then
|
||||
SFLIB="-L$SFMATDIR -lMBA_Grain"
|
||||
else
|
||||
SFLIB=" "
|
||||
fi
|
||||
OPENMP="-qopenmp"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
LOAD_DLL=$LOAD
|
||||
OPENMP=
|
||||
LIBMNF=
|
||||
OPENSSL=NONE
|
||||
fi
|
||||
|
||||
SYSLIBS=" $OPENMP -lpthread -cxxlib"
|
||||
|
||||
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
||||
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
|
||||
fi
|
||||
|
||||
|
||||
SYSLIBSPAR=" "
|
||||
|
||||
MARC_DLL_CODES="runmarc.f"
|
||||
|
||||
|
||||
BLAS_SRC="dzero.f icopy.f izero.f"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
||||
else
|
||||
BLAS_SRC="ALL"
|
||||
fi
|
||||
fi
|
||||
|
||||
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
||||
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
||||
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
||||
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
||||
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
||||
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
||||
fi
|
||||
|
||||
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
||||
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
||||
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f \
|
||||
prei11.f prei12.f prei31.f prei32.f prei41.f prei42.f prei61.f prei62.f \
|
||||
prei1n.f prei2n.f cgfullnts1.f cgfullnts2.f cg1n.f cg2n.f cg3n.f \
|
||||
cg4n.f cg5n.f cg6n.f cgnn.f sortab.f sortab1.f triann1.f preinv_nts.f \
|
||||
cn_sur_patchl.f cn_quad_3e.f"
|
||||
|
||||
|
||||
|
||||
MAXNUM=1000000
|
|
@ -0,0 +1,785 @@
|
|||
#
|
||||
# General definitions for the Marc 2020 version
|
||||
#
|
||||
# EM64T
|
||||
#
|
||||
# Linux RedHat 7.3 / SuSE 12 SP1
|
||||
#
|
||||
# 64 bit MPI version
|
||||
#
|
||||
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
|
||||
#
|
||||
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
||||
# running on Intel(R) 64, Version 19.0.4.243 Build 20190416
|
||||
#
|
||||
# To check the O/S level, type:
|
||||
# uname -a
|
||||
#
|
||||
# Distributed parallel MPI libraries:
|
||||
# Intel MPI 2019 Update 4
|
||||
# To check the mpi version, type:
|
||||
# mpiexec.hydra -version
|
||||
#
|
||||
# To check the Compiler level, type using the compiler
|
||||
# installation path:
|
||||
# ifort -V
|
||||
# icc -V
|
||||
#
|
||||
# REMARKS : This file contains the definitions of variables used during
|
||||
# compilation loading and use of the MARC programmes . The
|
||||
# current machine type is identified by means of the variable
|
||||
# MACHINE , defined below.
|
||||
#
|
||||
#
|
||||
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
||||
# DIRJOB : directory in which spawned jobs should look for Marc input
|
||||
# MPI_ARCH: system architecture
|
||||
# MPI_EPATH: path where executable resides
|
||||
#
|
||||
REVISION="VERSION, BUILD"
|
||||
HOSTNAME=`hostname`
|
||||
|
||||
# find available memory in Mbyte on the machine
|
||||
# can be set explicitly
|
||||
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
||||
|
||||
# set _OEM_NASTRAN to 1 for MD Nastran build
|
||||
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
||||
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
||||
|
||||
# uncomment the following line for an autoforge build
|
||||
#AUTOFORGE=1
|
||||
AUTOFORGE=0
|
||||
export AUTOFORGE
|
||||
|
||||
# integer size
|
||||
if test "$MARC_INTEGER_SIZE" = "" ; then
|
||||
INTEGER_PATH=
|
||||
else
|
||||
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
||||
fi
|
||||
|
||||
FCOMP=ifort
|
||||
INTELPATH="/opt/intel/compilers_and_libraries_2019/linux"
|
||||
|
||||
# find the root directory of the compiler installation:
|
||||
# - if ifort is found in $PATH, then the root directory is derived
|
||||
# from the path to ifort
|
||||
# - if ifort is not found in $PATH, the root directory is assumed
|
||||
# to be $INTELPATH and the directory in which ifort is found is
|
||||
# added to $PATH
|
||||
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
||||
if test -n "$FCOMPPATH"; then
|
||||
# derive the root directory from $FCOMPPATH
|
||||
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
||||
fi
|
||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||
FCOMPROOT=
|
||||
fi
|
||||
elif test -d "$INTELPATH"; then
|
||||
# check for compiler in $INTELPATH
|
||||
if test -d "$INTELPATH/bin/intel64" -a \
|
||||
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin/intel64:$PATH"
|
||||
elif test -d "$INTELPATH/bin" -a \
|
||||
-x "$INTELPATH/bin/$FCOMP"; then
|
||||
FCOMPROOT="$INTELPATH"
|
||||
PATH="$INTELPATH/bin:$PATH"
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
else
|
||||
FCOMPROOT=
|
||||
fi
|
||||
|
||||
# AEM
|
||||
if test "$MARCDLLOUTDIR" = ""; then
|
||||
DLLOUTDIR="$MARC_LIB"
|
||||
else
|
||||
DLLOUTDIR="$MARCDLLOUTDIR"
|
||||
fi
|
||||
|
||||
# settings for MKL
|
||||
if test "$IMKLDIR" = ""; then
|
||||
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
||||
else
|
||||
MARC_MKL=$IMKLDIR/lib/intel64
|
||||
fi
|
||||
|
||||
#
|
||||
# settings for Metis
|
||||
#
|
||||
METIS="-I$METIS_SOURCE/include"
|
||||
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
|
||||
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
# RCP and RSH are used for parallel network runs
|
||||
# replace with similar commands like rsh if needed
|
||||
RCP=/usr/bin/scp
|
||||
RSH=/usr/bin/ssh
|
||||
#
|
||||
|
||||
|
||||
MPI_DEFAULT=intelmpi
|
||||
MPI_OTHER=
|
||||
|
||||
MPITYPE=$MPI_DEFAULT
|
||||
|
||||
if test $AUTOFORGE
|
||||
then
|
||||
if test $AUTOFORGE = 1
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
fi
|
||||
|
||||
|
||||
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
||||
if test $MARC_MPITYPE
|
||||
then
|
||||
MPITYPE=$MARC_MPITYPE
|
||||
fi
|
||||
|
||||
# always set MPITYPE to none for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MPITYPE=none
|
||||
fi
|
||||
|
||||
# Edit following lines to build with GPGPU version of BCS Solver for
|
||||
# NVIDIA platforms
|
||||
#BCSGPUSOLVER=NONE
|
||||
BCSGPUSOLVER=BCSGPU
|
||||
|
||||
# Edit following lines to build solver 2 with GPU support
|
||||
SOLVER2GPU=GPU
|
||||
#SOLVER2GPU=NONE
|
||||
|
||||
# Edit following lines to set the openssl library
|
||||
if test "$OPENSSL" != "NONE"
|
||||
then
|
||||
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
||||
fi
|
||||
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
||||
|
||||
MARCHDF_HDF=HDF
|
||||
#MARCHDF_HDF=NONE
|
||||
|
||||
# activate contact component build if flagged
|
||||
AEM_DLL=0
|
||||
if test "$AEM_BUILD" = "ON" ; then
|
||||
AEM_DLL=1
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
EXT_DLL="so"
|
||||
MPITYPE=none
|
||||
MPI_OTHER=
|
||||
MARCHDF_HDF=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
|
||||
if test "$MARCHDF_HDF" = "HDF"; then
|
||||
HDF_INCLUDE="-I$MARC_HDF/include"
|
||||
HDF_LIBS="$MARC_LIB/libhdf5_fortran.so.100 $MARC_LIB/libhdf5.so.103"
|
||||
fi
|
||||
|
||||
SOLVERFLAGS=
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
||||
BCS_DIR=bcsgpusolver
|
||||
else
|
||||
BCS_DIR=bcssolver
|
||||
fi
|
||||
#
|
||||
# settings for MPI
|
||||
#
|
||||
DDM=
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
INTELMPI_VERSION=HYDRA
|
||||
FCOMPMPI=mpiifort
|
||||
if test -n "$MARC_INTELMPI" ; then
|
||||
MPI_ROOT=$MARC_INTELMPI
|
||||
else
|
||||
MPI_ROOT=/opt/intel/compilers_and_libraries_2019/linux/mpi/intel64
|
||||
MARC_INTELMPI=$MPI_ROOT
|
||||
fi
|
||||
DDM="-I${MPI_ROOT}/include -DDDM"
|
||||
PATH=$MPI_ROOT/bin:$PATH
|
||||
export PATH
|
||||
LD_LIBRARY_PATH=$MPI_ROOT/lib:$MPI_ROOT/lib/release:$MPI_ROOT/libfabric/lib:$LD_LIBRARY_PATH
|
||||
export LD_LIBRARY_PATH
|
||||
if test $INTELMPI_VERSION = HYDRA
|
||||
then
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
|
||||
else
|
||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
|
||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
|
||||
fi
|
||||
RUN_JOB0=
|
||||
MPI_CLEAN=
|
||||
MPI_EPATH=$MARC_BIN
|
||||
MPIR_HOME=$MPI_ROOT
|
||||
MPICH_F77=$FCOMP
|
||||
MPICH_F77LINKER=$FCOMP
|
||||
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
||||
FI_PROVIDER_PATH=$MPI_ROOT/libfabric/lib/prov
|
||||
export FI_PROVIDER_PATH
|
||||
fi
|
||||
else
|
||||
MPI_ROOT=$MARC_DUMMYMPI
|
||||
export MPI_ROOT=$MARC_DUMMYMPI
|
||||
DDM="-I$MPI_ROOT/include"
|
||||
fi
|
||||
|
||||
#
|
||||
# variables for the "maintain" script
|
||||
#
|
||||
|
||||
MACHINENAME=LINUX
|
||||
MACHINE64BIT=yes
|
||||
MACHINE=Linux_EM64T
|
||||
DEV=/dev/tape
|
||||
GETLOG="whoami"
|
||||
CLEAR="clear"
|
||||
MY_UNAME=`uname -a`
|
||||
|
||||
# Edit following 2 lines to build with VKI Solver
|
||||
#VKISOLVER=VKI
|
||||
VKISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with CASI Solver
|
||||
CASISOLVER=CASI
|
||||
if test "$MARC_CASISOLVER" = "NONE" ; then
|
||||
CASISOLVER=NONE
|
||||
fi
|
||||
#CASISOLVER=NONE
|
||||
|
||||
# Edit following 2 lines to build with MF2 Solver
|
||||
MF2SOLVER=NONE
|
||||
#MF2SOLVER=SERIAL
|
||||
#MF2SOLVER=MF2PARALLEL
|
||||
|
||||
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
||||
#INTELSOLVER=NONE
|
||||
INTELSOLVER=PARDISO
|
||||
|
||||
# Edit following lines to build with MUMPS
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
else
|
||||
#MUMPSSOLVER=NONE
|
||||
MUMPSSOLVER=MUMPS
|
||||
fi
|
||||
|
||||
# Edit following 2 lines to build MARC dynamic shared library
|
||||
MARC_DLL=MARC_DLL
|
||||
MARC_DLL=NONE
|
||||
|
||||
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
MARC_DLL=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
VKISOLVER=NONE
|
||||
CASISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
MUMPSSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
fi
|
||||
|
||||
#
|
||||
# define Fortran and C compile syntax
|
||||
#
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
||||
fi
|
||||
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
||||
fi
|
||||
if test "$MF2SOLVER" = MF2SERIAL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
||||
fi
|
||||
|
||||
if test "$INTELSOLVER" = PARDISO
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
||||
fi
|
||||
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
||||
fi
|
||||
|
||||
if test "$SOLVER2GPU" = GPU
|
||||
then
|
||||
SOLVERFLAGS="$SOLVERFLAGS -DSOLVER2GPU"
|
||||
fi
|
||||
|
||||
LINK_OPT=
|
||||
DEBUG_OPT=
|
||||
C_DEBUG_OPT=
|
||||
|
||||
#Uncomment following line to build Marc in debuggable mode
|
||||
MARCDEBUG=
|
||||
#MARCDEBUG="ON"
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
LINK_OPT="-debug -traceback"
|
||||
DEBUG_OPT="-debug -traceback"
|
||||
C_DEBUG_OPT="-debug -traceback"
|
||||
fi
|
||||
|
||||
|
||||
MARCCHECK=
|
||||
#MARCCHECK="ON"
|
||||
if test "$MARCCHECK" = "ON"
|
||||
then
|
||||
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
||||
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
||||
fi
|
||||
|
||||
MARCCODECOV=
|
||||
#MARCCODECOV="ON"
|
||||
|
||||
MARCCODEPROF=
|
||||
#MARCCODEPROF="ON"
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
I8FFLAGS=
|
||||
I8DEFINES=
|
||||
I8CDEFINES=
|
||||
else
|
||||
I8FFLAGS="-i8"
|
||||
I8DEFINES="-DI64"
|
||||
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
||||
fi
|
||||
|
||||
MTHREAD=OPENMP
|
||||
if test "$MARC_OPENMP" = "NONE" ; then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
#MTHREAD=NONE
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
MTHREAD=NONE
|
||||
fi
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
MTHREAD=NONE
|
||||
CASISOLVER=NONE
|
||||
VKISOLVER=NONE
|
||||
MF2SOLVER=NONE
|
||||
INTELSOLVER=NONE
|
||||
BCSGPUSOLVER=NONE
|
||||
SOLVER2GPU=NONE
|
||||
OPENSSL_LIB=
|
||||
MARC_DLL=NONE
|
||||
METISLIBS=
|
||||
fi
|
||||
|
||||
OMP_COMPAT=NO
|
||||
OMP_COMPAT=YES
|
||||
if test "$MTHREAD" = "NONE"
|
||||
then
|
||||
OMP_COMPAT=NO
|
||||
fi
|
||||
|
||||
CDEFINES=
|
||||
FDEFINES=
|
||||
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
||||
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
||||
fi
|
||||
|
||||
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
||||
|
||||
if test "$_OEM_NASTRAN" -eq 0
|
||||
then
|
||||
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
||||
fi
|
||||
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
||||
fi
|
||||
|
||||
# -D_MSCMARC
|
||||
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
||||
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
|
||||
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
|
||||
fi
|
||||
|
||||
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS -I$LAPI_IMPORTS/common/include"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
CINCL="$CINCL -I../../include"
|
||||
fi
|
||||
|
||||
CC_OPT=
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
CC_OPT=" $CC_OPT -qopenmp"
|
||||
fi
|
||||
|
||||
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||
fi
|
||||
|
||||
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
|
||||
CCT="$CC"
|
||||
CCTLOW="$CCLOW"
|
||||
CCTHIGH="$CCHIGH"
|
||||
|
||||
#PROFILE="-Mprof=func"
|
||||
#PROFILE="-Mprof=lines"
|
||||
#PROFILE="-Mprof=func,mpi"
|
||||
PROFILE=
|
||||
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
|
||||
if test "$MARCCODECOV" = "ON"
|
||||
then
|
||||
PROFILE="-prof-gen=srcpos"
|
||||
fi
|
||||
if test "$MARCCODEPROF" = "ON"
|
||||
then
|
||||
PROFILE=" $PROFILE -pg"
|
||||
fi
|
||||
|
||||
FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||
if test "$MTHREAD" = "OPENMP"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||
if test "$OMP_COMPAT" = "YES"
|
||||
then
|
||||
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
||||
fi
|
||||
else
|
||||
# FORT_OPT=" $FORT_OPT -auto "
|
||||
FORT_OPT=" $FORT_OPT -save -zero"
|
||||
fi
|
||||
if test "$MARCHDF_HDF" = "HDF"; then
|
||||
FORT_OPT="$FORT_OPT -DMARCHDF_HDF=$MARCHDF_HDF $HDF_INCLUDE"
|
||||
fi
|
||||
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
# for compiling free form f90 files. high opt, integer(4)
|
||||
FORTF90="$FCOMP -c -O3"
|
||||
|
||||
if test "$MARCDEBUG" = "ON"
|
||||
then
|
||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||
fi
|
||||
|
||||
FORTLOWT="$FORTLOW"
|
||||
FORTRANT="$FORTRAN"
|
||||
FORTHIGHT="$FORTHIGH"
|
||||
|
||||
FORTRANMNF="$FCOMP -c $FDEFINES "
|
||||
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
||||
|
||||
if test $MPITYPE != none
|
||||
then
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
|
||||
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
LOAD="ifort $PROFILE $LINK_OPT -o "
|
||||
LOADT="ifort $PROFILE $LINK_OPT -o "
|
||||
fi
|
||||
else
|
||||
LOAD="$FCOMP $LINK_OPT -o "
|
||||
LOADT="$FCOMP $LINK_OPT -o "
|
||||
fi
|
||||
|
||||
if test "$MARC_DLL" = MARC_DLL
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||
CC="$CC -fPIC"
|
||||
CCMNF="$CCMNF -fPIC"
|
||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
|
||||
LINK_MARC_DLL="-shared -fPIC"
|
||||
LOAD_DLL=$LOAD
|
||||
LOADT_DLL=$LOADT
|
||||
EXT_DLL="so"
|
||||
fi
|
||||
|
||||
|
||||
XLIBS="-L/usr/X11/lib -lX11 "
|
||||
|
||||
#
|
||||
# define archive and ranlib syntax
|
||||
#
|
||||
|
||||
ARC="ar rvl"
|
||||
ARD="ar dvl"
|
||||
ARX="ar xl"
|
||||
RAN=""
|
||||
|
||||
#
|
||||
# choose which libraries you want to use ( e.g. blas )
|
||||
#
|
||||
|
||||
if test "$VKISOLVER" = VKI
|
||||
then
|
||||
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
||||
else
|
||||
VKISOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$CASISOLVER" = CASI
|
||||
then
|
||||
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
|
||||
else
|
||||
CASISOLVERLIBS=
|
||||
fi
|
||||
|
||||
MF2SOLVERLIBS=
|
||||
if test "$MF2SOLVER" = MF2PARALLEL
|
||||
then
|
||||
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
||||
$MARC_LIB/mf2parallel/libsym.a \
|
||||
$MARC_LIB/mf2parallel/libmet.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libmf2.a \
|
||||
$MARC_LIB/mf2parallel/libgauss.a \
|
||||
$MARC_LIB/mf2parallel/libnum.a \
|
||||
$MARC_LIB/mf2parallel/libutl.a \
|
||||
$MARC_LIB/mf2parallel/libr8.a \
|
||||
$MARC_LIB/mf2parallel/libz.a "
|
||||
fi
|
||||
|
||||
if test "$MUMPSSOLVER" = MUMPS
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
|
||||
if test $MPITYPE = none
|
||||
then
|
||||
MUMPSSOLVERLIBS2=
|
||||
echo hello > /dev/null
|
||||
fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_intelmpi.a"
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
||||
fi
|
||||
fi
|
||||
if test $MPITYPE = hpmpi
|
||||
then
|
||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps_hpmpi.a"
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
|
||||
else
|
||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
|
||||
fi
|
||||
fi
|
||||
else
|
||||
MUMPSSOLVERLIBS=
|
||||
MUMPSSOLVERLIBS2=
|
||||
fi
|
||||
|
||||
if test "$BCSGPUSOLVER" = BCSGPU
|
||||
then
|
||||
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
|
||||
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
|
||||
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
|
||||
MARCCUDALIBS=$MARCCUDALIBS1
|
||||
else
|
||||
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
||||
fi
|
||||
|
||||
SOLVER2LIBS=
|
||||
if test "$SOLVER2GPU" = GPU
|
||||
then
|
||||
SOLVER2LIBS="-L$MARC_LIB/cuda_dummy -lsolver2gpu"
|
||||
fi
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
BCSSOLVERLIBS=
|
||||
fi
|
||||
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
else
|
||||
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||
fi
|
||||
|
||||
SECLIBS="-L$MARC_LIB -llapi"
|
||||
|
||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/libkdtree2.a $HDF_LIBS $SOLVER2LIBS"
|
||||
|
||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
|
||||
fi
|
||||
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
||||
MRCLIBSPAR="$MARC_LIB/clib.a"
|
||||
STUBS="$MARC_LIB/stubs.a "
|
||||
MNFLIBS="$MARC_LIB/libmnf.a"
|
||||
MDUSER="$MARC_LIB/md_user.a"
|
||||
if test "X$MARC_SIMUFACT" != "X"
|
||||
then
|
||||
SFLIB="-L$SFMATDIR -lMBA_Grain"
|
||||
else
|
||||
SFLIB=" "
|
||||
fi
|
||||
OPENMP="-qopenmp"
|
||||
|
||||
if test "$AEM_DLL" -eq 1
|
||||
then
|
||||
LOAD_DLL=$LOAD
|
||||
OPENMP=
|
||||
LIBMNF=
|
||||
OPENSSL=NONE
|
||||
fi
|
||||
|
||||
SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
|
||||
|
||||
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
||||
# if test $MPITYPE = intelmpi
|
||||
# then
|
||||
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
||||
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
||||
# fi
|
||||
if test $MPITYPE = intelmpi
|
||||
then
|
||||
SYSLIBS="-L${MPI_ROOT}/lib/release -lmpi -L${MPI_ROOT}/lib -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
|
||||
fi
|
||||
|
||||
|
||||
SYSLIBSPAR=" "
|
||||
|
||||
MARC_DLL_CODES="runmarc.f"
|
||||
|
||||
|
||||
BLAS_SRC="dzero.f icopy.f izero.f"
|
||||
if test "$_OEM_NASTRAN" -ne 0
|
||||
then
|
||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
||||
else
|
||||
BLAS_SRC="ALL"
|
||||
fi
|
||||
fi
|
||||
|
||||
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
||||
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
||||
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
||||
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
||||
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
||||
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
||||
fi
|
||||
|
||||
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
||||
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
||||
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f \
|
||||
prei11.f prei12.f prei31.f prei32.f prei41.f prei42.f prei61.f prei62.f \
|
||||
prei1n.f prei2n.f cgfullnts1.f cgfullnts2.f cg1n.f cg2n.f cg3n.f \
|
||||
cg4n.f cg5n.f cg6n.f cgnn.f sortab.f sortab1.f triann1.f preinv_nts.f \
|
||||
cn_sur_patchl.f cn_quad_3e.f"
|
||||
|
||||
|
||||
|
||||
MAXNUM=1000000
|
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
@ -0,0 +1,5 @@
|
|||
#!/bin/sh
|
||||
# This script opens a window running an editor.
|
||||
# The command to invoke the editor is specified during DAMASK installation
|
||||
|
||||
%EDITOR% $*
|
|
@ -0,0 +1,18 @@
|
|||
#!/bin/sh
|
||||
# This script opens a window running an editor. The default window is an
|
||||
# xterm, and the default editor is vi. These may be customized.
|
||||
|
||||
dir=
|
||||
for d in /usr/bin /usr/bin/X11; do
|
||||
if test -x "$d/xterm"; then
|
||||
dir="$d"
|
||||
break
|
||||
fi
|
||||
done
|
||||
|
||||
if test -z "$dir"; then
|
||||
echo "$0: Could not find xterm"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $*
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
|
@ -0,0 +1,8 @@
|
|||
#!/bin/sh
|
||||
|
||||
if [ "$1" = "" ]; then
|
||||
echo "usage: $0 job_name"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
echo STOP > $1.cnt
|
|
@ -0,0 +1,189 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=/tmp/msc/marc2020
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
copy_datfile="-ci $4"
|
||||
copy_postfile="-cr $5"
|
||||
scr_dir=$6
|
||||
dcoup=$7
|
||||
assem_recov_nthread=$8
|
||||
nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nsolver=$1
|
||||
mode=$2
|
||||
gpu=$3
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
|
||||
slv="-iam sfm"
|
||||
fi
|
||||
if [ "$slv" == "marc" ]; then
|
||||
slv=""
|
||||
fi
|
||||
if [ "$slv" == "datfit" ]; then
|
||||
slv="-iam datfit"
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
|
@ -0,0 +1,191 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=%INSTALLDIR%/marc%VERSION%
|
||||
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
copy_datfile="-ci $4"
|
||||
copy_postfile="-cr $5"
|
||||
scr_dir=$6
|
||||
dcoup=$7
|
||||
assem_recov_nthread=$8
|
||||
nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nsolver=$1
|
||||
mode=$2
|
||||
gpu=$3
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
|
||||
slv="-iam sfm"
|
||||
fi
|
||||
if [ "$slv" = "marc" ]; then
|
||||
slv=""
|
||||
fi
|
||||
if [ "$slv" = "datfit" ]; then
|
||||
slv="-iam datfit"
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile=${srcfile%.*}".marc"
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
|
@ -0,0 +1,191 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=%INSTALLDIR%/marc%VERSION%
|
||||
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
copy_datfile="-ci $4"
|
||||
copy_postfile="-cr $5"
|
||||
scr_dir=$6
|
||||
dcoup=$7
|
||||
assem_recov_nthread=$8
|
||||
nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nsolver=$1
|
||||
mode=$2
|
||||
gpu=$3
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
|
||||
slv="-iam sfm"
|
||||
fi
|
||||
if [ "$slv" = "marc" ]; then
|
||||
slv=""
|
||||
fi
|
||||
if [ "$slv" = "datfit" ]; then
|
||||
slv="-iam datfit"
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile=${srcfile%.*}".marc"
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
|
@ -0,0 +1,191 @@
|
|||
#!/bin/sh
|
||||
#
|
||||
# The exit status of this script is read by Mentat.
|
||||
# Normal exit status is 0.
|
||||
#
|
||||
|
||||
DIR=%INSTALLDIR%/marc%VERSION%
|
||||
|
||||
if test $MARCDIR1
|
||||
then
|
||||
DIR=$MARCDIR1
|
||||
fi
|
||||
|
||||
if test -z "$DIR"; then
|
||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||
DIRSCRIPT=`dirname $REALCOM`
|
||||
case $DIRSCRIPT in
|
||||
\/*)
|
||||
;;
|
||||
*)
|
||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||
;;
|
||||
esac
|
||||
. $DIRSCRIPT/getarch
|
||||
|
||||
DIR="$MENTAT_MARCDIR"
|
||||
fi
|
||||
|
||||
SRCEXT=.f
|
||||
SRCEXTC=.F
|
||||
RSTEXT=.t08
|
||||
PSTEXT=.t19
|
||||
PSTEXTB=.t16
|
||||
VWFCEXT=.vfs
|
||||
|
||||
slv=$1
|
||||
version=$2
|
||||
ndom_fea_solver=$3
|
||||
ndom_preprocessor=$4
|
||||
hostfile=$5
|
||||
compat=$6
|
||||
job=$7
|
||||
srcfile=$8
|
||||
srcmeth=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
restart=$1
|
||||
postfile=$2
|
||||
viewfactorsfile=$3
|
||||
copy_datfile="-ci $4"
|
||||
copy_postfile="-cr $5"
|
||||
scr_dir=$6
|
||||
dcoup=$7
|
||||
assem_recov_nthread=$8
|
||||
nthread=$9
|
||||
shift 9 # cannot use $10, $11, ...
|
||||
nsolver=$1
|
||||
mode=$2
|
||||
gpu=$3
|
||||
|
||||
if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
|
||||
slv="-iam sfm"
|
||||
fi
|
||||
if [ "$slv" = "marc" ]; then
|
||||
slv=""
|
||||
fi
|
||||
if [ "$slv" = "datfit" ]; then
|
||||
slv="-iam datfit"
|
||||
fi
|
||||
|
||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||
nprocds="-nprocds $ndom_fea_solver"
|
||||
else
|
||||
nprocd=""
|
||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||
nprocd="-nprocd $ndom_preprocessor"
|
||||
else
|
||||
nprocd=""
|
||||
fi
|
||||
fi
|
||||
|
||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||
case "$srcmeth" in
|
||||
-)
|
||||
srcfile="-u $srcfile"
|
||||
;;
|
||||
compsave)
|
||||
srcfile="-u $srcfile -save y"
|
||||
;;
|
||||
runsaved)
|
||||
srcfile=${srcfile%.*}".marc"
|
||||
srcfile="-prog $srcfile"
|
||||
;;
|
||||
esac
|
||||
else
|
||||
srcfile=""
|
||||
fi
|
||||
|
||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||
restart="-r $restart"
|
||||
else
|
||||
restart=""
|
||||
fi
|
||||
|
||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||
postfile="-pid $postfile"
|
||||
else
|
||||
postfile=""
|
||||
fi
|
||||
|
||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||
viewfactorsfile="-vf $viewfactorsfile"
|
||||
else
|
||||
viewfactorsfile=""
|
||||
fi
|
||||
|
||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||
hostfile="-ho $hostfile"
|
||||
else
|
||||
hostfile=""
|
||||
fi
|
||||
|
||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||
compat="-co $compat"
|
||||
else
|
||||
compat=""
|
||||
fi
|
||||
|
||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||
scr_dir="-sd $scr_dir"
|
||||
else
|
||||
scr_dir=""
|
||||
fi
|
||||
|
||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||
dcoup="-dcoup $dcoup"
|
||||
else
|
||||
dcoup=""
|
||||
fi
|
||||
|
||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||
else
|
||||
assem_recov_nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||
nthread="-nthread $nthread"
|
||||
else
|
||||
nthread=""
|
||||
fi
|
||||
|
||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||
nsolver="-nsolver $nsolver"
|
||||
else
|
||||
nsolver=""
|
||||
fi
|
||||
|
||||
case "$mode" in
|
||||
4) mode="-mo i4" ;;
|
||||
8) mode="-mo i8" ;;
|
||||
*) mode= ;;
|
||||
esac
|
||||
|
||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||
gpu="-gpu $gpu"
|
||||
else
|
||||
gpu=""
|
||||
fi
|
||||
|
||||
rm -f $job.cnt
|
||||
rm -f $job.sts
|
||||
rm -f $job.out
|
||||
rm -f $job.log
|
||||
|
||||
# To prevent a mismatch with the python version used by the solver
|
||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||
unset PYTHONHOME
|
||||
unset PYTHONPATH
|
||||
|
||||
"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd \
|
||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||
sleep 1
|
||||
exit 0
|
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
@ -8,6 +8,8 @@ from pathlib import Path
|
|||
import damask
|
||||
|
||||
marc_version = float(damask.environment.options['MARC_VERSION'])
|
||||
if int(marc_version) == marc_version:
|
||||
marc_version = int(marc_version)
|
||||
msc_root = Path(damask.environment.options['MSC_ROOT'])
|
||||
damask_root = damask.environment.root_dir
|
||||
|
||||
|
@ -21,8 +23,8 @@ parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
|
|||
def copy_and_replace(in_file,dst):
|
||||
with open(in_file) as f:
|
||||
content = f.read()
|
||||
content = content.replace('%INSTALLDIR%',str(damask_root/'bin'))
|
||||
content = content.replace('%VERSION%',str(marc_version).replace('.0',''))
|
||||
content = content.replace('%INSTALLDIR%',msc_root)
|
||||
content = content.replace('%VERSION%',str(marc_version))
|
||||
content = content.replace('%EDITOR%', parser.parse_args().editor)
|
||||
with open(dst/Path(in_file).name,'w') as f:
|
||||
f.write(content)
|
||||
|
|
|
@ -39,21 +39,21 @@ for filename in options.filenames:
|
|||
N_digits = 5 # hack to keep test intact
|
||||
for inc in damask.util.show_progress(results.iterate('increments'),len(results.increments)):
|
||||
table = damask.Table(np.ones(np.product(results.grid),dtype=int)*int(inc[3:]),{'inc':(1,)})
|
||||
table.add('pos',coords.reshape(-1,3))
|
||||
table = table.add('pos',coords.reshape(-1,3))
|
||||
|
||||
results.pick('materialpoints',False)
|
||||
results.pick('constituents', True)
|
||||
for label in options.con:
|
||||
x = results.get_dataset_location(label)
|
||||
if len(x) != 0:
|
||||
table.add(label,results.read_dataset(x,0,plain=True).reshape(results.grid.prod(),-1))
|
||||
table = table.add(label,results.read_dataset(x,0,plain=True).reshape(results.grid.prod(),-1))
|
||||
|
||||
results.pick('constituents', False)
|
||||
results.pick('materialpoints',True)
|
||||
for label in options.mat:
|
||||
x = results.get_dataset_location(label)
|
||||
if len(x) != 0:
|
||||
table.add(label,results.read_dataset(x,0,plain=True).reshape(results.grid.prod(),-1))
|
||||
table = table.add(label,results.read_dataset(x,0,plain=True).reshape(results.grid.prod(),-1))
|
||||
|
||||
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
||||
if not os.path.isdir(dirname):
|
||||
|
|
|
@ -181,13 +181,13 @@ for name in filenames:
|
|||
if options.shape:
|
||||
centers = damask.grid_filters.cell_coord(size,F)
|
||||
shapeMismatch = shapeMismatch(size,F,nodes,centers)
|
||||
table.add('shapeMismatch(({}))'.format(options.defgrad),
|
||||
table = table.add('shapeMismatch(({}))'.format(options.defgrad),
|
||||
shapeMismatch.reshape(-1,1,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
if options.volume:
|
||||
volumeMismatch = volumeMismatch(size,F,nodes)
|
||||
table.add('volMismatch(({}))'.format(options.defgrad),
|
||||
table = table.add('volMismatch(({}))'.format(options.defgrad),
|
||||
volumeMismatch.reshape(-1,1,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
|
|
|
@ -51,7 +51,7 @@ for name in filenames:
|
|||
shape = (3,) if np.prod(field.shape)//np.prod(grid) == 3 else (3,3) # vector or tensor
|
||||
field = field.reshape(tuple(grid)+(-1,),order='F').reshape(tuple(grid)+shape)
|
||||
curl = damask.grid_filters.curl(size,field)
|
||||
table.add('curlFFT({})'.format(label),
|
||||
table = table.add('curlFFT({})'.format(label),
|
||||
curl.reshape(tuple(grid)+(-1,)).reshape(-1,np.prod(shape),order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
|
|
|
@ -67,7 +67,7 @@ for name in filenames:
|
|||
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
for label in options.labels:
|
||||
table.add('d({})/d({})'.format(label,options.coordinates),
|
||||
table = table.add('d({})/d({})'.format(label,options.coordinates),
|
||||
derivative(table.get(options.coordinates),table.get(label)),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
|
|
|
@ -53,19 +53,19 @@ for name in filenames:
|
|||
F = table.get(options.f).reshape(tuple(grid)+(-1,),order='F').reshape(tuple(grid)+(3,3))
|
||||
if options.nodal:
|
||||
table = damask.Table(damask.grid_filters.node_coord0(grid,size).reshape(-1,3,order='F'),
|
||||
{'pos':(3,)})
|
||||
table.add('avg({}).{}'.format(options.f,options.pos),
|
||||
{'pos':(3,)})\
|
||||
.add('avg({}).{}'.format(options.f,options.pos),
|
||||
damask.grid_filters.node_displacement_avg(size,F).reshape(-1,3,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table.add('fluct({}).{}'.format(options.f,options.pos),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))\
|
||||
.add('fluct({}).{}'.format(options.f,options.pos),
|
||||
damask.grid_filters.node_displacement_fluct(size,F).reshape(-1,3,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table.to_file(sys.stdout if name is None else os.path.splitext(name)[0]+'_nodal.txt')
|
||||
else:
|
||||
table.add('avg({}).{}'.format(options.f,options.pos),
|
||||
table = table.add('avg({}).{}'.format(options.f,options.pos),
|
||||
damask.grid_filters.cell_displacement_avg(size,F).reshape(-1,3,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table.add('fluct({}).{}'.format(options.f,options.pos),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))\
|
||||
.add('fluct({}).{}'.format(options.f,options.pos),
|
||||
damask.grid_filters.cell_displacement_fluct(size,F).reshape(-1,3,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table.to_file(sys.stdout if name is None else name)
|
||||
|
|
|
@ -51,7 +51,7 @@ for name in filenames:
|
|||
shape = (3,) if np.prod(field.shape)//np.prod(grid) == 3 else (3,3) # vector or tensor
|
||||
field = field.reshape(tuple(grid)+(-1,),order='F').reshape(tuple(grid)+shape)
|
||||
div = damask.grid_filters.divergence(size,field)
|
||||
table.add('divFFT({})'.format(label),
|
||||
table = table.add('divFFT({})'.format(label),
|
||||
div.reshape(tuple(grid)+(-1,)).reshape(-1,np.prod(shape)//3,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
|
|
|
@ -180,7 +180,7 @@ for name in filenames:
|
|||
|
||||
|
||||
for i,feature in enumerate(feature_list):
|
||||
table.add('ED_{}({})'.format(features[feature]['names'][0],options.id),
|
||||
table = table.add('ED_{}({})'.format(features[feature]['names'][0],options.id),
|
||||
distance[i,:],
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
|
|
|
@ -67,7 +67,7 @@ for name in filenames:
|
|||
damask.grid_filters.coord0_check(table.get(options.pos))
|
||||
|
||||
for label in options.labels:
|
||||
table.add('Gauss{}({})'.format(options.sigma,label),
|
||||
table = table.add('Gauss{}({})'.format(options.sigma,label),
|
||||
ndimage.filters.gaussian_filter(table.get(label).reshape(-1),
|
||||
options.sigma,options.order,
|
||||
mode = 'wrap' if options.periodic else 'nearest'),
|
||||
|
|
|
@ -51,7 +51,7 @@ for name in filenames:
|
|||
shape = (1,) if np.prod(field.shape)//np.prod(grid) == 1 else (3,) # scalar or vector
|
||||
field = field.reshape(tuple(grid)+(-1,),order='F')
|
||||
grad = damask.grid_filters.gradient(size,field)
|
||||
table.add('gradFFT({})'.format(label),
|
||||
table = table.add('gradFFT({})'.format(label),
|
||||
grad.reshape(tuple(grid)+(-1,)).reshape(-1,np.prod(shape)*3,order='F'),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
|
|
|
@ -1,64 +0,0 @@
|
|||
#!/usr/bin/env python3
|
||||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
||||
Add data in column(s) of mapped ASCIItable selected from the row indexed by the value in a mapping column.
|
||||
Row numbers start at 1.
|
||||
|
||||
""", version = scriptID)
|
||||
|
||||
parser.add_option('--index',
|
||||
dest = 'index',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'column label containing row index')
|
||||
parser.add_option('-o','--offset',
|
||||
dest = 'offset',
|
||||
type = 'int', metavar = 'int',
|
||||
help = 'constant offset for index column value [%default]')
|
||||
parser.add_option('-l','--label',
|
||||
dest = 'label',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'column label(s) to be appended')
|
||||
parser.add_option('-a','--asciitable',
|
||||
dest = 'asciitable',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'indexed ASCIItable')
|
||||
|
||||
parser.set_defaults(offset = 0,
|
||||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
if options.label is None:
|
||||
parser.error('no data columns specified.')
|
||||
if options.index is None:
|
||||
parser.error('no index column given.')
|
||||
|
||||
for name in filenames:
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
indexedTable = damask.Table.from_ASCII(options.asciitable)
|
||||
idx = np.reshape(table.get(options.index).astype(int) + options.offset,(-1))-1
|
||||
|
||||
for data in options.label:
|
||||
table.add(data+'_addIndexed',indexedTable.get(data)[idx],scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.to_file(sys.stdout if name is None else name)
|
|
@ -1,118 +0,0 @@
|
|||
#!/usr/bin/env python3
|
||||
|
||||
import os
|
||||
import sys
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
||||
Add data of selected column(s) from (first) row of linked ASCIItable that shares the linking column value.
|
||||
|
||||
""", version = scriptID)
|
||||
|
||||
parser.add_option('--link',
|
||||
dest = 'link', nargs = 2,
|
||||
type = 'string', metavar = 'string string',
|
||||
help = 'column labels of table and linked table containing linking values')
|
||||
parser.add_option('-l','--label',
|
||||
dest = 'label',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'column label(s) to add from linked ASCIItable')
|
||||
parser.add_option('-a','--asciitable',
|
||||
dest = 'asciitable',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'linked ASCIItable')
|
||||
|
||||
parser.set_defaults()
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if options.label is None:
|
||||
parser.error('no data columns specified.')
|
||||
if options.link is None:
|
||||
parser.error('no linking columns given.')
|
||||
|
||||
# -------------------------------------- process linked ASCIItable --------------------------------
|
||||
|
||||
if options.asciitable is not None and os.path.isfile(options.asciitable):
|
||||
|
||||
linkedTable = damask.ASCIItable(name = options.asciitable, readonly = True)
|
||||
linkedTable.head_read() # read ASCII header info of linked table
|
||||
linkDim = linkedTable.label_dimension(options.link[1]) # dimension of linking column
|
||||
|
||||
missing_labels = linkedTable.data_readArray([options.link[1]]+options.label) # try reading linked ASCII table
|
||||
linkedTable.close() # close linked ASCII table
|
||||
|
||||
if len(missing_labels) > 0:
|
||||
damask.util.croak('column{} {} not found...'.format('s' if len(missing_labels) > 1 else '',', '.join(missing_labels)))
|
||||
if len(missing_labels) >= len(options.label):
|
||||
damask.util.croak('aborting...')
|
||||
sys.exit()
|
||||
|
||||
index = linkedTable.data[:,:linkDim]
|
||||
data = linkedTable.data[:,linkDim:]
|
||||
else:
|
||||
parser.error('no linked ASCIItable given.')
|
||||
|
||||
# --- loop over input files -----------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
for name in filenames:
|
||||
try:
|
||||
table = damask.ASCIItable(name = name)
|
||||
except IOError:
|
||||
continue
|
||||
damask.util.report(scriptName,"{} {} <== {} {}".format(name,damask.util.deemph('@ '+options.link[0]),
|
||||
options.asciitable,damask.util.deemph('@ '+options.link[1])))
|
||||
|
||||
# ------------------------------------------ read header ------------------------------------------
|
||||
|
||||
table.head_read()
|
||||
|
||||
# ------------------------------------------ sanity checks ----------------------------------------
|
||||
|
||||
errors = []
|
||||
|
||||
myLink = table.label_index (options.link[0])
|
||||
myLinkDim = table.label_dimension(options.link[0])
|
||||
if myLink < 0: errors.append('linking column {} not found.'.format(options.link[0]))
|
||||
if myLinkDim != linkDim: errors.append('dimension mismatch for column {}.'.format(options.link[0]))
|
||||
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ assemble header --------------------------------------
|
||||
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
table.labels_append(linkedTable.labels(raw = True)[linkDim:]) # extend with new labels (except for linked column)
|
||||
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
try:
|
||||
table.data_append(data[np.argwhere(np.all((list(map(float,table.data[myLink:myLink+myLinkDim])) - index)==0,
|
||||
axis=1))[0]]) # add data of first matching line
|
||||
except IndexError:
|
||||
table.data_append(np.nan*np.ones_like(data[0])) # or add NaNs
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close ASCII tables
|
|
@ -137,14 +137,14 @@ for name in filenames:
|
|||
|
||||
|
||||
if 'rodrigues' in options.output:
|
||||
table.add('ro({})'.format(label),o.as_Rodrigues(), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table = table.add('ro({})'.format(label),o.as_Rodrigues(), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
if 'eulers' in options.output:
|
||||
table.add('eu({})'.format(label),o.as_Eulers(options.degrees), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table = table.add('eu({})'.format(label),o.as_Eulers(options.degrees), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
if 'quaternion' in options.output:
|
||||
table.add('qu({})'.format(label),o.as_quaternion(), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table = table.add('qu({})'.format(label),o.as_quaternion(), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
if 'matrix' in options.output:
|
||||
table.add('om({})'.format(label),o.as_matrix(), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table = table.add('om({})'.format(label),o.as_matrix(), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
if 'axisangle' in options.output:
|
||||
table.add('om({})'.format(label),o.as_axisangle(options.degrees), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table = table.add('om({})'.format(label),o.as_axisangle(options.degrees), scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.to_file(sys.stdout if name is None else name)
|
||||
|
|
|
@ -187,6 +187,6 @@ for name in filenames:
|
|||
np.einsum('ijk,ik->ij',slip_normal, (o@normal)))
|
||||
|
||||
for i,label in enumerate(labels):
|
||||
table.add(label,S[:,i],scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table = table.add(label,S[:,i],scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.to_file(sys.stdout if name is None else name)
|
||||
|
|
|
@ -1,142 +0,0 @@
|
|||
#!/usr/bin/env python3
|
||||
|
||||
import os
|
||||
import sys
|
||||
from optparse import OptionParser, OptionGroup
|
||||
import math # noqa
|
||||
|
||||
import numpy as np
|
||||
|
||||
import damask
|
||||
|
||||
|
||||
def periodicAverage(coords, limits):
|
||||
"""Centroid in periodic domain, see https://en.wikipedia.org/wiki/Center_of_mass#Systems_with_periodic_boundary_conditions."""
|
||||
theta = 2.0*np.pi * (coords - limits[0])/(limits[1] - limits[0])
|
||||
theta_avg = np.pi + np.arctan2(-np.sin(theta).mean(axis=0), -np.cos(theta).mean(axis=0))
|
||||
return limits[0] + theta_avg * (limits[1] - limits[0])/2.0/np.pi
|
||||
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
|
||||
Apply a user-specified function to condense into a single row all those rows for which columns 'label' have identical values.
|
||||
Output table will contain as many rows as there are different (unique) values in the grouping column(s).
|
||||
Periodic domain averaging of coordinate values is supported.
|
||||
|
||||
Examples:
|
||||
For grain averaged values, replace all rows of particular 'texture' with a single row containing their average.
|
||||
{name} --label texture --function np.average data.txt
|
||||
""".format(name = scriptName), version = scriptID)
|
||||
|
||||
parser.add_option('-l','--label',
|
||||
dest = 'label',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'column label(s) for grouping rows')
|
||||
parser.add_option('-f','--function',
|
||||
dest = 'function',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'mapping function [%default]')
|
||||
parser.add_option('-a','--all',
|
||||
dest = 'all',
|
||||
action = 'store_true',
|
||||
help = 'apply mapping function also to grouping column(s)')
|
||||
|
||||
group = OptionGroup(parser, "periodic averaging", "")
|
||||
|
||||
group.add_option ('-p','--periodic',
|
||||
dest = 'periodic',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'coordinate label(s) to average across periodic domain')
|
||||
group.add_option ('--limits',
|
||||
dest = 'boundary',
|
||||
type = 'float', metavar = 'float float', nargs = 2,
|
||||
help = 'min and max of periodic domain %default')
|
||||
|
||||
parser.add_option_group(group)
|
||||
|
||||
parser.set_defaults(function = 'np.average',
|
||||
all = False,
|
||||
label = [],
|
||||
boundary = [0.0, 1.0])
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
funcModule,funcName = options.function.split('.')
|
||||
|
||||
try:
|
||||
mapFunction = getattr(locals().get(funcModule) or
|
||||
globals().get(funcModule) or
|
||||
__import__(funcModule),
|
||||
funcName)
|
||||
except Exception:
|
||||
mapFunction = None
|
||||
|
||||
if options.label is []:
|
||||
parser.error('no grouping column specified.')
|
||||
if not hasattr(mapFunction,'__call__'):
|
||||
parser.error('function "{}" is not callable.'.format(options.function))
|
||||
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
for name in filenames:
|
||||
try:
|
||||
table = damask.ASCIItable(name = name)
|
||||
except IOError:
|
||||
continue
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
# ------------------------------------------ sanity checks ---------------------------------------
|
||||
|
||||
remarks = []
|
||||
errors = []
|
||||
|
||||
table.head_read()
|
||||
grpColumns = table.label_index(options.label)[::-1]
|
||||
grpColumns = grpColumns[np.where(grpColumns>=0)]
|
||||
|
||||
if len(grpColumns) == 0: errors.append('no valid grouping column present.')
|
||||
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss=True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ assemble info ---------------------------------------
|
||||
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data --------------------------------
|
||||
|
||||
table.data_readArray()
|
||||
indexrange = table.label_indexrange(options.periodic) if options.periodic is not None else []
|
||||
rows,cols = table.data.shape
|
||||
|
||||
table.data = table.data[np.lexsort(table.data[:,grpColumns].T)] # sort data by grpColumn(s)
|
||||
values,index = np.unique(table.data[:,grpColumns], axis=0, return_index=True) # unique grpColumn values and their positions
|
||||
index = sorted(np.append(index,rows)) # add termination position
|
||||
grpTable = np.empty((len(values), cols)) # initialize output
|
||||
|
||||
for i in range(len(values)): # iterate over groups (unique values in grpColumn)
|
||||
grpTable[i] = np.apply_along_axis(mapFunction,0,table.data[index[i]:index[i+1]]) # apply (general) mapping function
|
||||
grpTable[i,indexrange] = \
|
||||
periodicAverage(table.data[index[i]:index[i+1],indexrange],options.boundary) # apply periodicAverage mapping function
|
||||
|
||||
if not options.all: grpTable[i,grpColumns] = table.data[index[i],grpColumns] # restore grouping column value
|
||||
|
||||
table.data = grpTable
|
||||
|
||||
# ------------------------------------------ output result -------------------------------
|
||||
|
||||
table.data_writeArray()
|
||||
table.close() # close ASCII table
|
|
@ -56,6 +56,6 @@ for name in filenames:
|
|||
data = table.get(label)
|
||||
uniques,inverse = np.unique(data,return_inverse=True,axis=0) if options.unique else (data,np.arange(len(data)))
|
||||
rng.shuffle(uniques)
|
||||
table.set(label,uniques[inverse], scriptID+' '+' '.join(sys.argv[1:]))
|
||||
table = table.set(label,uniques[inverse], scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.to_file(sys.stdout if name is None else name)
|
||||
|
|
|
@ -64,6 +64,5 @@ for name in filenames:
|
|||
'homogenization\t{}'.format(geom.homogenization)]
|
||||
|
||||
table = damask.Table(seeds[mask],{'pos':(3,)},comments)
|
||||
table.add('microstructure',microstructure[mask])
|
||||
table.to_file(sys.stdout if name is None else \
|
||||
os.path.splitext(name)[0]+'.seeds')
|
||||
table = table.add('microstructure',microstructure[mask])
|
||||
table.to_file(sys.stdout if name is None else os.path.splitext(name)[0]+'.seeds')
|
||||
|
|
|
@ -155,11 +155,11 @@ for name in filenames:
|
|||
]
|
||||
|
||||
table = damask.Table(np.hstack((seeds,eulers)),{'pos':(3,),'euler':(3,)},comments)
|
||||
table.add('microstructure',np.arange(options.microstructure,options.microstructure + options.N,dtype=int))
|
||||
table = table.add('microstructure',np.arange(options.microstructure,options.microstructure + options.N,dtype=int))
|
||||
|
||||
if options.weights:
|
||||
weights = np.random.uniform(low = 0, high = options.max, size = options.N) if options.max > 0.0 \
|
||||
else np.random.normal(loc = options.mean, scale = options.sigma, size = options.N)
|
||||
table.add('weight',weights)
|
||||
table = table.add('weight',weights)
|
||||
|
||||
table.to_file(sys.stdout if name is None else name)
|
||||
|
|
|
@ -434,10 +434,11 @@ class Rotation:
|
|||
|
||||
if P == 1: ax[...,0:3] *= -1
|
||||
if degrees: ax[..., 3] = np.radians(ax[...,3])
|
||||
if normalize: ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1)
|
||||
if normalize: ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1,keepdims=True)
|
||||
if np.any(ax[...,3] < 0.0) or np.any(ax[...,3] > np.pi):
|
||||
raise ValueError('Axis angle rotation angle outside of [0..π].')
|
||||
if not np.all(np.isclose(np.linalg.norm(ax[...,0:3],axis=-1), 1.0)):
|
||||
print(np.linalg.norm(ax[...,0:3],axis=-1))
|
||||
raise ValueError('Axis angle rotation axis is not of unit length.')
|
||||
|
||||
return Rotation(Rotation._ax2qu(ax))
|
||||
|
@ -516,7 +517,7 @@ class Rotation:
|
|||
raise ValueError('P ∉ {-1,1}')
|
||||
|
||||
if P == 1: ro[...,0:3] *= -1
|
||||
if normalize: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1)
|
||||
if normalize: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True)
|
||||
if np.any(ro[...,3] < 0.0):
|
||||
raise ValueError('Rodrigues vector rotation angle not positive.')
|
||||
if not np.all(np.isclose(np.linalg.norm(ro[...,0:3],axis=-1), 1.0)):
|
||||
|
@ -613,13 +614,29 @@ class Rotation:
|
|||
return Rotation.from_quaternion(np.real(vec.T[eig.argmax()]),accept_homomorph = True)
|
||||
|
||||
@staticmethod
|
||||
def from_random(shape=None):
|
||||
def from_random(shape=None,seed=None):
|
||||
"""
|
||||
Draw random rotation.
|
||||
|
||||
Rotations are uniformly distributed.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
shape : tuple of ints, optional
|
||||
Shape of the sample. Defaults to None which gives a
|
||||
single rotation
|
||||
seed : {None, int, array_like[ints], SeedSequence, BitGenerator, Generator}, optional
|
||||
A seed to initialize the BitGenerator. Defaults to None.
|
||||
If None, then fresh, unpredictable entropy will be pulled from the OS.
|
||||
|
||||
"""
|
||||
rng = np.random.default_rng(seed)
|
||||
if shape is None:
|
||||
r = np.random.random(3)
|
||||
r = rng.random(3)
|
||||
elif hasattr(shape, '__iter__'):
|
||||
r = np.random.random(tuple(shape)+(3,))
|
||||
r = rng.random(tuple(shape)+(3,))
|
||||
else:
|
||||
r = np.random.rand(shape,3)
|
||||
r = rng.random((shape,3))
|
||||
|
||||
A = np.sqrt(r[...,2])
|
||||
B = np.sqrt(1.0-r[...,2])
|
||||
|
@ -636,6 +653,84 @@ class Rotation:
|
|||
asAxisAngle = as_axis_angle
|
||||
__mul__ = __matmul__
|
||||
|
||||
|
||||
@staticmethod
|
||||
def from_spherical_component(center,sigma,N=500,degrees=True,seed=None):
|
||||
"""
|
||||
Calculate set of rotations with Gaussian distribution around center.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
center : Rotation
|
||||
Central Rotation.
|
||||
sigma : float
|
||||
Standard deviation of (Gaussian) misorientation distribution.
|
||||
N : int, optional
|
||||
Number of samples, defaults to 500.
|
||||
degrees : boolean, optional
|
||||
sigma is given in degrees.
|
||||
seed : {None, int, array_like[ints], SeedSequence, BitGenerator, Generator}, optional
|
||||
A seed to initialize the BitGenerator. Defaults to None, i.e. unpredictable entropy
|
||||
will be pulled from the OS.
|
||||
|
||||
"""
|
||||
rng = np.random.default_rng(seed)
|
||||
sigma = np.radians(sigma) if degrees else sigma
|
||||
u,Theta = (rng.random((N,2)) * 2.0 * np.array([1,np.pi]) - np.array([1.0, 0])).T
|
||||
omega = abs(rng.normal(scale=sigma,size=N))
|
||||
p = np.column_stack([np.sqrt(1-u**2)*np.cos(Theta),
|
||||
np.sqrt(1-u**2)*np.sin(Theta),
|
||||
u, omega])
|
||||
|
||||
return Rotation.from_axis_angle(p) @ center
|
||||
|
||||
|
||||
@staticmethod
|
||||
def from_fiber_component(alpha,beta,sigma=0.0,N=500,degrees=True,seed=None):
|
||||
"""
|
||||
Calculate set of rotations with Gaussian distribution around direction.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
alpha : numpy.ndarray of size 2
|
||||
Polar coordinates (phi from x,theta from z) of fiber direction in crystal frame.
|
||||
beta : numpy.ndarray of size 2
|
||||
Polar coordinates (phi from x,theta from z) of fiber direction in sample frame.
|
||||
sigma : float, optional
|
||||
Standard deviation of (Gaussian) misorientation distribution.
|
||||
Defaults to 0.
|
||||
N : int, optional
|
||||
Number of samples, defaults to 500.
|
||||
degrees : boolean, optional
|
||||
sigma, alpha, and beta are given in degrees.
|
||||
seed : {None, int, array_like[ints], SeedSequence, BitGenerator, Generator}, optional
|
||||
A seed to initialize the BitGenerator. Defaults to None, i.e. unpredictable entropy
|
||||
will be pulled from the OS.
|
||||
|
||||
"""
|
||||
rng = np.random.default_rng(seed)
|
||||
sigma_,alpha_,beta_ = map(np.radians,(sigma,alpha,beta)) if degrees else (sigma,alpha,beta)
|
||||
|
||||
d_cr = np.array([np.sin(alpha_[0])*np.cos(alpha_[1]), np.sin(alpha_[0])*np.sin(alpha_[1]), np.cos(alpha_[0])])
|
||||
d_lab = np.array([np.sin( beta_[0])*np.cos( beta_[1]), np.sin( beta_[0])*np.sin( beta_[1]), np.cos( beta_[0])])
|
||||
ax_align = np.append(np.cross(d_lab,d_cr), np.arccos(np.dot(d_lab,d_cr)))
|
||||
if np.isclose(ax_align[3],0.0): ax_align[:3] = np.array([1,0,0])
|
||||
R_align = Rotation.from_axis_angle(ax_align if ax_align[3] > 0.0 else -ax_align,normalize=True) # rotate fiber axis from sample to crystal frame
|
||||
|
||||
u,Theta = (rng.random((N,2)) * 2.0 * np.array([1,np.pi]) - np.array([1.0, 0])).T
|
||||
omega = abs(rng.normal(scale=sigma_,size=N))
|
||||
p = np.column_stack([np.sqrt(1-u**2)*np.cos(Theta),
|
||||
np.sqrt(1-u**2)*np.sin(Theta),
|
||||
u, omega])
|
||||
p[:,:3] = np.einsum('ij,...j',np.eye(3)-np.outer(d_lab,d_lab),p[:,:3]) # remove component along fiber axis
|
||||
f = np.column_stack((np.broadcast_to(d_lab,(N,3)),rng.random(N)*np.pi))
|
||||
f[::2,:3] *= -1 # flip half the rotation axes to negative sense
|
||||
|
||||
return R_align.broadcast_to(N) \
|
||||
@ Rotation.from_axis_angle(p,normalize=True) \
|
||||
@ Rotation.from_axis_angle(f)
|
||||
|
||||
|
||||
####################################################################################################
|
||||
# Code below available according to the following conditions on https://github.com/MarDiehl/3Drotations
|
||||
####################################################################################################
|
||||
|
|
|
@ -1,4 +1,5 @@
|
|||
import re
|
||||
import copy
|
||||
|
||||
import pandas as pd
|
||||
import numpy as np
|
||||
|
@ -29,6 +30,15 @@ class Table:
|
|||
self._label_condensed()
|
||||
|
||||
|
||||
def __copy__(self):
|
||||
"""Copy Table."""
|
||||
return copy.deepcopy(self)
|
||||
|
||||
def copy(self):
|
||||
"""Copy Table."""
|
||||
return self.__copy__()
|
||||
|
||||
|
||||
def _label_flat(self):
|
||||
"""Label data individually, e.g. v v v ==> 1_v 2_v 3_v."""
|
||||
labels = []
|
||||
|
@ -191,15 +201,16 @@ class Table:
|
|||
Human-readable information about the new data.
|
||||
|
||||
"""
|
||||
self._add_comment(label,data.shape[1:],info)
|
||||
dup = self.copy()
|
||||
dup._add_comment(label,data.shape[1:],info)
|
||||
|
||||
if re.match(r'[0-9]*?_',label):
|
||||
idx,key = label.split('_',1)
|
||||
iloc = self.data.columns.get_loc(key).tolist().index(True) + int(idx) -1
|
||||
self.data.iloc[:,iloc] = data
|
||||
iloc = dup.data.columns.get_loc(key).tolist().index(True) + int(idx) -1
|
||||
dup.data.iloc[:,iloc] = data
|
||||
else:
|
||||
self.data[label] = data.reshape(self.data[label].shape)
|
||||
|
||||
dup.data[label] = data.reshape(dup.data[label].shape)
|
||||
return dup
|
||||
|
||||
def add(self,label,data,info=None):
|
||||
"""
|
||||
|
@ -215,15 +226,17 @@ class Table:
|
|||
Human-readable information about the modified data.
|
||||
|
||||
"""
|
||||
self._add_comment(label,data.shape[1:],info)
|
||||
dup = self.copy()
|
||||
dup._add_comment(label,data.shape[1:],info)
|
||||
|
||||
self.shapes[label] = data.shape[1:] if len(data.shape) > 1 else (1,)
|
||||
dup.shapes[label] = data.shape[1:] if len(data.shape) > 1 else (1,)
|
||||
size = np.prod(data.shape[1:],dtype=int)
|
||||
new = pd.DataFrame(data=data.reshape(-1,size),
|
||||
columns=[label]*size,
|
||||
)
|
||||
new.index = self.data.index
|
||||
self.data = pd.concat([self.data,new],axis=1)
|
||||
new.index = dup.data.index
|
||||
dup.data = pd.concat([dup.data,new],axis=1)
|
||||
return dup
|
||||
|
||||
|
||||
def delete(self,label):
|
||||
|
@ -236,25 +249,31 @@ class Table:
|
|||
Column label.
|
||||
|
||||
"""
|
||||
self.data.drop(columns=label,inplace=True)
|
||||
del self.shapes[label]
|
||||
dup = self.copy()
|
||||
dup.data.drop(columns=label,inplace=True)
|
||||
del dup.shapes[label]
|
||||
return dup
|
||||
|
||||
|
||||
def rename(self,label_old,label_new,info=None):
|
||||
def rename(self,old,new,info=None):
|
||||
"""
|
||||
Rename column data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
label_old : str
|
||||
Old column label.
|
||||
label_new : str
|
||||
New column label.
|
||||
label_old : str or iterable of str
|
||||
Old column label(s).
|
||||
label_new : str or iterable of str
|
||||
New column label(s).
|
||||
|
||||
"""
|
||||
self.data.rename(columns={label_old:label_new},inplace=True)
|
||||
self.comments.append(f'{label_old} => {label_new}'+('' if info is None else f': {info}'))
|
||||
self.shapes = {(label if label != label_old else label_new):self.shapes[label] for label in self.shapes}
|
||||
dup = self.copy()
|
||||
columns = dict(zip([old] if isinstance(old,str) else old,
|
||||
[new] if isinstance(new,str) else new))
|
||||
dup.data.rename(columns=columns,inplace=True)
|
||||
dup.comments.append(f'{old} => {new}'+('' if info is None else f': {info}'))
|
||||
dup.shapes = {(label if label not in columns else columns[label]):dup.shapes[label] for label in dup.shapes}
|
||||
return dup
|
||||
|
||||
|
||||
def sort_by(self,labels,ascending=True):
|
||||
|
@ -269,10 +288,12 @@ class Table:
|
|||
Set sort order.
|
||||
|
||||
"""
|
||||
self._label_flat()
|
||||
self.data.sort_values(labels,axis=0,inplace=True,ascending=ascending)
|
||||
self._label_condensed()
|
||||
self.comments.append(f'sorted by [{", ".join(labels)}]')
|
||||
dup = self.copy()
|
||||
dup._label_flat()
|
||||
dup.data.sort_values(labels,axis=0,inplace=True,ascending=ascending)
|
||||
dup._label_condensed()
|
||||
dup.comments.append(f'sorted {"ascending" if ascending else "descending"} by {labels}')
|
||||
return dup
|
||||
|
||||
|
||||
def append(self,other):
|
||||
|
@ -290,7 +311,9 @@ class Table:
|
|||
if self.shapes != other.shapes or not self.data.columns.equals(other.data.columns):
|
||||
raise KeyError('Labels or shapes or order do not match')
|
||||
else:
|
||||
self.data = self.data.append(other.data,ignore_index=True)
|
||||
dup = self.copy()
|
||||
dup.data = dup.data.append(other.data,ignore_index=True)
|
||||
return dup
|
||||
|
||||
|
||||
def join(self,other):
|
||||
|
@ -308,9 +331,11 @@ class Table:
|
|||
if set(self.shapes) & set(other.shapes) or self.data.shape[0] != other.data.shape[0]:
|
||||
raise KeyError('Dublicated keys or row count mismatch')
|
||||
else:
|
||||
self.data = self.data.join(other.data)
|
||||
dup = self.copy()
|
||||
dup.data = dup.data.join(other.data)
|
||||
for key in other.shapes:
|
||||
self.shapes[key] = other.shapes[key]
|
||||
dup.shapes[key] = other.shapes[key]
|
||||
return dup
|
||||
|
||||
|
||||
def to_file(self,fname,format='ASCII',new_style=False):
|
||||
|
|
|
@ -105,7 +105,7 @@ class TestOrientation:
|
|||
if update:
|
||||
coords = np.array([(1,i+1) for i,x in enumerate(eu)])
|
||||
table = Table(eu,{'Eulers':(3,)})
|
||||
table.add('pos',coords)
|
||||
table = table.add('pos',coords)
|
||||
table.to_ASCII(reference)
|
||||
assert np.allclose(eu,Table.from_ASCII(reference).get('Eulers'))
|
||||
|
||||
|
|
|
@ -2,6 +2,7 @@ import os
|
|||
|
||||
import pytest
|
||||
import numpy as np
|
||||
from scipy import stats
|
||||
|
||||
from damask import Rotation
|
||||
from damask import _rotation
|
||||
|
@ -686,6 +687,15 @@ class TestRotation:
|
|||
print(u,c)
|
||||
assert np.allclose(single(u),c) and np.allclose(single(u),vectorized(u))
|
||||
|
||||
@pytest.mark.parametrize('func',[Rotation.from_axis_angle])
|
||||
def test_normalization_vectorization(self,func):
|
||||
"""Check vectorized implementation normalization."""
|
||||
vec = np.random.rand(5,4)
|
||||
ori = func(vec,normalize=True)
|
||||
for v,o in zip(vec,ori):
|
||||
assert np.allclose(func(v,normalize=True).as_quaternion(),o.as_quaternion())
|
||||
|
||||
|
||||
@pytest.mark.parametrize('degrees',[True,False])
|
||||
def test_Eulers(self,set_of_rotations,degrees):
|
||||
for rot in set_of_rotations:
|
||||
|
@ -911,3 +921,39 @@ class TestRotation:
|
|||
R_2 = Rotation.from_axis_angle([0,0,1,angle],degrees=True)
|
||||
avg_angle = R_1.average(R_2).as_axis_angle(degrees=True,pair=True)[1]
|
||||
assert np.isclose(avg_angle,10+(angle-10)/2.)
|
||||
|
||||
|
||||
@pytest.mark.parametrize('sigma',[5,10,15,20])
|
||||
@pytest.mark.parametrize('N',[1000,10000,100000])
|
||||
def test_spherical_component(self,N,sigma):
|
||||
c = Rotation.from_random()
|
||||
o = Rotation.from_spherical_component(c,sigma,N)
|
||||
_, angles = c.misorientation(o).as_axis_angle(pair=True,degrees=True)
|
||||
angles[::2] *= -1 # flip angle for every second to symmetrize distribution
|
||||
|
||||
p = stats.normaltest(angles)[1]
|
||||
sigma_out = np.std(angles)
|
||||
print(f'\np: {p}, sigma ratio {sigma/sigma_out}')
|
||||
assert (.9 < sigma/sigma_out < 1.1) and p > 0.001
|
||||
|
||||
|
||||
@pytest.mark.parametrize('sigma',[5,10,15,20])
|
||||
@pytest.mark.parametrize('N',[1000,10000,100000])
|
||||
def test_from_fiber_component(self,N,sigma):
|
||||
"""https://en.wikipedia.org/wiki/Full_width_at_half_maximum."""
|
||||
alpha = np.random.random(2)*np.pi
|
||||
beta = np.random.random(2)*np.pi
|
||||
|
||||
f_in_C = np.array([np.sin(alpha[0])*np.cos(alpha[1]), np.sin(alpha[0])*np.sin(alpha[1]), np.cos(alpha[0])])
|
||||
f_in_S = np.array([np.sin(beta[0] )*np.cos(beta[1] ), np.sin(beta[0] )*np.sin(beta[1] ), np.cos(beta[0] )])
|
||||
ax = np.append(np.cross(f_in_C,f_in_S), - np.arccos(np.dot(f_in_C,f_in_S)))
|
||||
n = Rotation.from_axis_angle(ax if ax[3] > 0.0 else ax*-1.0 ,normalize=True) # rotation to align fiber axis in crystal and sample system
|
||||
|
||||
o = Rotation.from_fiber_component(alpha,beta,np.radians(sigma),N,False)
|
||||
angles = np.arccos(np.clip(np.dot(o@np.broadcast_to(f_in_S,(N,3)),n@f_in_S),-1,1))
|
||||
dist = np.array(angles) * (np.random.randint(0,2,N)*2-1)
|
||||
|
||||
p = stats.normaltest(dist)[1]
|
||||
sigma_out = np.degrees(np.std(dist))
|
||||
print(f'\np: {p}, sigma ratio {sigma/sigma_out}')
|
||||
assert (.9 < sigma/sigma_out < 1.1) and p > 0.001
|
||||
|
|
|
@ -81,13 +81,11 @@ class TestTable:
|
|||
Table.from_ASCII(f)
|
||||
|
||||
def test_set(self,default):
|
||||
default.set('F',np.zeros((5,3,3)),'set to zero')
|
||||
d=default.get('F')
|
||||
d = default.set('F',np.zeros((5,3,3)),'set to zero').get('F')
|
||||
assert np.allclose(d,0.0) and d.shape[1:] == (3,3)
|
||||
|
||||
def test_set_component(self,default):
|
||||
default.set('1_F',np.zeros((5)),'set to zero')
|
||||
d=default.get('F')
|
||||
d = default.set('1_F',np.zeros((5)),'set to zero').get('F')
|
||||
assert np.allclose(d[...,0,0],0.0) and d.shape[1:] == (3,3)
|
||||
|
||||
def test_labels(self,default):
|
||||
|
@ -95,36 +93,34 @@ class TestTable:
|
|||
|
||||
def test_add(self,default):
|
||||
d = np.random.random((5,9))
|
||||
default.add('nine',d,'random data')
|
||||
assert np.allclose(d,default.get('nine'))
|
||||
assert np.allclose(d,default.add('nine',d,'random data').get('nine'))
|
||||
|
||||
def test_rename_equivalent(self):
|
||||
x = np.random.random((5,13))
|
||||
t = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
|
||||
s = t.get('s')
|
||||
t.rename('s','u')
|
||||
u = t.get('u')
|
||||
u = t.rename('s','u').get('u')
|
||||
assert np.all(s == u)
|
||||
|
||||
def test_rename_gone(self,default):
|
||||
default.rename('v','V')
|
||||
assert 'v' not in default.shapes and 'v' not in default.data.columns
|
||||
gone = default.rename('v','V')
|
||||
assert 'v' not in gone.shapes and 'v' not in gone.data.columns
|
||||
with pytest.raises(KeyError):
|
||||
default.get('v')
|
||||
gone.get('v')
|
||||
|
||||
def test_delete(self,default):
|
||||
default.delete('v')
|
||||
assert 'v' not in default.shapes and 'v' not in default.data.columns
|
||||
delete = default.delete('v')
|
||||
assert 'v' not in delete.shapes and 'v' not in delete.data.columns
|
||||
with pytest.raises(KeyError):
|
||||
default.get('v')
|
||||
delete.get('v')
|
||||
|
||||
def test_join(self):
|
||||
x = np.random.random((5,13))
|
||||
a = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
|
||||
y = np.random.random((5,3))
|
||||
b = Table(y,{'u':(3,)},['random test data'])
|
||||
a.join(b)
|
||||
assert np.array_equal(a.get('u'), b.get('u'))
|
||||
c = a.join(b)
|
||||
assert np.array_equal(c.get('u'), b.get('u'))
|
||||
|
||||
def test_join_invalid(self):
|
||||
x = np.random.random((5,13))
|
||||
|
@ -135,8 +131,8 @@ class TestTable:
|
|||
def test_append(self):
|
||||
x = np.random.random((5,13))
|
||||
a = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
|
||||
a.append(a)
|
||||
assert np.array_equal(a.data[:5].to_numpy(),a.data[5:].to_numpy())
|
||||
b = a.append(a)
|
||||
assert np.array_equal(b.data[:5].to_numpy(),b.data[5:].to_numpy())
|
||||
|
||||
def test_append_invalid(self):
|
||||
x = np.random.random((5,13))
|
||||
|
@ -163,29 +159,26 @@ class TestTable:
|
|||
x = np.random.random((5,13))
|
||||
t = Table(x,{'F':(3,3),'v':(3,),'s':(1,)},['random test data'])
|
||||
unsort = t.get('s')
|
||||
t.sort_by('s')
|
||||
sort = t.get('s')
|
||||
sort = t.sort_by('s').get('s')
|
||||
assert np.all(np.sort(unsort,0)==sort)
|
||||
|
||||
def test_sort_component(self):
|
||||
x = np.random.random((5,12))
|
||||
t = Table(x,{'F':(3,3),'v':(3,)},['random test data'])
|
||||
unsort = t.get('4_F')
|
||||
t.sort_by('4_F')
|
||||
sort = t.get('4_F')
|
||||
sort = t.sort_by('4_F').get('4_F')
|
||||
assert np.all(np.sort(unsort,0)==sort)
|
||||
|
||||
def test_sort_revert(self):
|
||||
x = np.random.random((5,12))
|
||||
t = Table(x,{'F':(3,3),'v':(3,)},['random test data'])
|
||||
t.sort_by('4_F',ascending=False)
|
||||
sort = t.get('4_F')
|
||||
sort = t.sort_by('4_F',ascending=False).get('4_F')
|
||||
assert np.all(np.sort(sort,0)==sort[::-1,:])
|
||||
|
||||
def test_sort(self):
|
||||
t = Table(np.array([[0,1,],[2,1,]]),
|
||||
{'v':(2,)},
|
||||
['test data'])
|
||||
t.add('s',np.array(['b','a']))
|
||||
t.sort_by('s')
|
||||
['test data'])\
|
||||
.add('s',np.array(['b','a']))\
|
||||
.sort_by('s')
|
||||
assert np.all(t.get('1_v') == np.array([2,0]).reshape(2,1))
|
||||
|
|
|
@ -74,6 +74,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_initAll
|
||||
|
||||
call parallelization_init
|
||||
call DAMASK_interface_init
|
||||
call prec_init
|
||||
call IO_init
|
||||
|
@ -81,7 +82,7 @@ subroutine CPFEM_initAll
|
|||
call math_init
|
||||
call rotations_init
|
||||
call YAML_types_init
|
||||
call YAML_init
|
||||
call YAML_parse_init
|
||||
call HDF5_utilities_init
|
||||
call results_init(.false.)
|
||||
call discretization_marc_init
|
||||
|
@ -105,8 +106,7 @@ subroutine CPFEM_init
|
|||
num_commercialFEM, &
|
||||
debug_CPFEM
|
||||
|
||||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||
flush(6)
|
||||
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(6)
|
||||
|
||||
allocate(CPFEM_cs( 6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
|
||||
allocate(CPFEM_dcsdE( 6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
|
||||
|
@ -114,24 +114,24 @@ subroutine CPFEM_init
|
|||
|
||||
!------------------------------------------------------------------------------
|
||||
! read numerical parameters and do sanity check
|
||||
num_commercialFEM => numerics_root%get('commercialFEM',defaultVal=emptyDict)
|
||||
num_commercialFEM => config_numerics%get('commercialFEM',defaultVal=emptyDict)
|
||||
num%iJacoStiffness = num_commercialFEM%get_asInt('ijacostiffness',defaultVal=1)
|
||||
if (num%iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness')
|
||||
|
||||
!------------------------------------------------------------------------------
|
||||
! read debug options
|
||||
|
||||
debug_CPFEM => debug_root%get('cpfem',defaultVal=emptyList)
|
||||
debug_CPFEM => config_debug%get('cpfem',defaultVal=emptyList)
|
||||
debugCPFEM%basic = debug_CPFEM%contains('basic')
|
||||
debugCPFEM%extensive = debug_CPFEM%contains('extensive')
|
||||
debugCPFEM%selective = debug_CPFEM%contains('selective')
|
||||
debugCPFEM%element = debug_root%get_asInt('element',defaultVal = 1)
|
||||
debugCPFEM%ip = debug_root%get_asInt('integrationpoint',defaultVal = 1)
|
||||
debugCPFEM%element = config_debug%get_asInt('element',defaultVal = 1)
|
||||
debugCPFEM%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
||||
|
||||
if(debugCPFEM%basic) then
|
||||
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
|
||||
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
|
||||
write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
|
||||
print'(a32,1x,6(i8,1x))', 'CPFEM_cs: ', shape(CPFEM_cs)
|
||||
print'(a32,1x,6(i8,1x))', 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
|
||||
print'(a32,1x,6(i8,1x),/)', 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
|
@ -170,14 +170,14 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
|
|||
elCP = mesh_FEM2DAMASK_elem(elFE)
|
||||
|
||||
if (debugCPFEM%basic .and. elCP == debugCPFEM%element .and. ip == debugCPFEM%ip) then
|
||||
write(6,'(/,a)') '#############################################'
|
||||
write(6,'(a1,a22,1x,i8,a13)') '#','element', elCP, '#'
|
||||
write(6,'(a1,a22,1x,i8,a13)') '#','ip', ip, '#'
|
||||
write(6,'(a1,a22,1x,i8,a13)') '#','cycleCounter', cycleCounter, '#'
|
||||
write(6,'(a1,a22,1x,i8,a13)') '#','computationMode',mode, '#'
|
||||
print'(/,a)', '#############################################'
|
||||
print'(a1,a22,1x,i8,a13)', '#','element', elCP, '#'
|
||||
print'(a1,a22,1x,i8,a13)', '#','ip', ip, '#'
|
||||
print'(a1,a22,1x,i8,a13)', '#','cycleCounter', cycleCounter, '#'
|
||||
print'(a1,a22,1x,i8,a13)', '#','computationMode',mode, '#'
|
||||
if (terminallyIll) &
|
||||
write(6,'(a,/)') '# --- terminallyIll --- #'
|
||||
write(6,'(a,/)') '#############################################'; flush (6)
|
||||
print'(a,/)', '# --- terminallyIll --- #'
|
||||
print'(a,/)', '#############################################'; flush (6)
|
||||
endif
|
||||
|
||||
if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) &
|
||||
|
@ -201,14 +201,14 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
|
|||
call random_number(rnd)
|
||||
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
|
||||
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
|
||||
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
|
||||
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
|
||||
|
||||
else validCalculation
|
||||
updateJaco = mod(cycleCounter,num%iJacoStiffness) == 0
|
||||
FEsolving_execElem = elCP
|
||||
FEsolving_execIP = ip
|
||||
if (debugCPFEM%extensive) &
|
||||
write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elFE,ip
|
||||
print'(a,i8,1x,i2)', '<< CPFEM >> calculation for elFE ip ',elFE,ip
|
||||
call materialpoint_stressAndItsTangent(updateJaco, dt)
|
||||
|
||||
terminalIllness: if (terminallyIll) then
|
||||
|
@ -216,7 +216,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
|
|||
call random_number(rnd)
|
||||
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
|
||||
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
|
||||
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
|
||||
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_eye(6)
|
||||
|
||||
else terminalIllness
|
||||
|
||||
|
@ -246,9 +246,9 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
|
|||
|
||||
if (debugCPFEM%extensive &
|
||||
.and. ((debugCPFEM%element == elCP .and. debugCPFEM%ip == ip) .or. .not. debugCPFEM%selective)) then
|
||||
write(6,'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)') &
|
||||
print'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)', &
|
||||
'<< CPFEM >> stress/MPa at elFE ip ', elFE, ip, CPFEM_cs(1:6,ip,elCP)*1.0e-6_pReal
|
||||
write(6,'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))') &
|
||||
print'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))', &
|
||||
'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
|
||||
flush(6)
|
||||
endif
|
||||
|
|
|
@ -40,6 +40,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_initAll
|
||||
|
||||
call parallelization_init
|
||||
call DAMASK_interface_init ! Spectral and FEM interface to commandline
|
||||
call prec_init
|
||||
call IO_init
|
||||
|
@ -51,7 +52,7 @@ subroutine CPFEM_initAll
|
|||
call math_init
|
||||
call rotations_init
|
||||
call YAML_types_init
|
||||
call YAML_init
|
||||
call YAML_parse_init
|
||||
call lattice_init
|
||||
call HDF5_utilities_init
|
||||
call results_init(restart=interface_restartInc>0)
|
||||
|
@ -75,7 +76,7 @@ end subroutine CPFEM_initAll
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_init
|
||||
|
||||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(6)
|
||||
|
||||
if (interface_restartInc > 0) call crystallite_restartRead
|
||||
|
||||
|
|
|
@ -19,26 +19,27 @@ module DAMASK_interface
|
|||
use PETScSys
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use system_routines
|
||||
|
||||
implicit none
|
||||
private
|
||||
logical, volatile, public, protected :: &
|
||||
SIGTERM, & !< termination signal
|
||||
SIGUSR1, & !< 1. user-defined signal
|
||||
SIGUSR2 !< 2. user-defined signal
|
||||
interface_SIGTERM, & !< termination signal
|
||||
interface_SIGUSR1, & !< 1. user-defined signal
|
||||
interface_SIGUSR2 !< 2. user-defined signal
|
||||
integer, public, protected :: &
|
||||
interface_restartInc = 0 !< Increment at which calculation starts
|
||||
character(len=:), allocatable, public, protected :: &
|
||||
geometryFile, & !< parameter given for geometry file
|
||||
loadCaseFile !< parameter given for load case file
|
||||
interface_geomFile, & !< parameter given for geometry file
|
||||
interface_loadFile !< parameter given for load case file
|
||||
|
||||
public :: &
|
||||
getSolverJobName, &
|
||||
DAMASK_interface_init, &
|
||||
setSIGTERM, &
|
||||
setSIGUSR1, &
|
||||
setSIGUSR2
|
||||
interface_setSIGTERM, &
|
||||
interface_setSIGUSR1, &
|
||||
interface_setSIGUSR2
|
||||
|
||||
contains
|
||||
|
||||
|
@ -72,144 +73,94 @@ subroutine DAMASK_interface_init
|
|||
userName !< name of user calling the executable
|
||||
integer :: &
|
||||
stat, &
|
||||
i, &
|
||||
#ifdef _OPENMP
|
||||
threadLevel, &
|
||||
#endif
|
||||
worldrank = 0, &
|
||||
worldsize = 0, &
|
||||
typeSize
|
||||
i
|
||||
integer, dimension(8) :: &
|
||||
dateAndTime
|
||||
integer :: err
|
||||
PetscErrorCode :: petsc_err
|
||||
external :: &
|
||||
quit
|
||||
|
||||
print'(/,a)', ' <<<+- DAMASK_interface init -+>>>'
|
||||
|
||||
open(6, encoding='UTF-8') ! for special characters in output
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Init
|
||||
#ifdef _OPENMP
|
||||
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
|
||||
! Otherwise, the first call to PETSc will do the initialization.
|
||||
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,err)
|
||||
if (err /= 0) call quit(1)
|
||||
if (threadLevel<MPI_THREAD_FUNNELED) then
|
||||
write(6,'(/,a)') ' ERROR: MPI library does not support OpenMP'
|
||||
call quit(1)
|
||||
endif
|
||||
! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203
|
||||
#ifdef DEBUG
|
||||
print*, achar(27)//'[31m'
|
||||
print'(a,/)', ' debug version - debug version - debug version - debug version - debug version'
|
||||
#else
|
||||
print*, achar(27)//'[94m'
|
||||
#endif
|
||||
call PETScInitializeNoArguments(petsc_err) ! according to PETSc manual, that should be the first line in the code
|
||||
CHKERRQ(petsc_err) ! this is a macro definition, it is case sensitive
|
||||
print*, ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/'
|
||||
print*, ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/'
|
||||
print*, ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/'
|
||||
print*, ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
|
||||
print*, ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/'
|
||||
#ifdef DEBUG
|
||||
print'(/,a)', ' debug version - debug version - debug version - debug version - debug version'
|
||||
#endif
|
||||
print*, achar(27)//'[0m'
|
||||
|
||||
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,err)
|
||||
if (err /= 0) call quit(1)
|
||||
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,err)
|
||||
if (err /= 0) call quit(1)
|
||||
print'(a)', ' Roters et al., Computational Materials Science 158:420–478, 2019'
|
||||
print'(a)', ' https://doi.org/10.1016/j.commatsci.2018.04.030'
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
if (output_unit /= 6) then
|
||||
write(output_unit,'(/,a)') ' ERROR: STDOUT != 6'
|
||||
call quit(1)
|
||||
endif
|
||||
if (error_unit /= 0) then
|
||||
write(output_unit,'(/,a)') ' ERROR: STDERR != 0'
|
||||
call quit(1)
|
||||
endif
|
||||
else mainProcess
|
||||
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
|
||||
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
|
||||
endif mainProcess
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
|
||||
|
||||
! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK
|
||||
write(6,*) achar(27)//'[94m'
|
||||
write(6,*) ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/'
|
||||
write(6,*) ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/'
|
||||
write(6,*) ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/'
|
||||
write(6,*) ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
|
||||
write(6,*) ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/'
|
||||
write(6,*) achar(27)//'[0m'
|
||||
|
||||
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
|
||||
|
||||
write(6,'(/,a)') ' Version: '//DAMASKVERSION
|
||||
print'(/,a)', ' Version: '//DAMASKVERSION
|
||||
|
||||
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
|
||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
||||
write(6,'(/,a)') ' Compiled with: '//compiler_version()
|
||||
write(6,'(a)') ' Compiler options: '//compiler_options()
|
||||
#elif defined(__INTEL_COMPILER)
|
||||
write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
|
||||
', build date :', __INTEL_COMPILER_BUILD_DATE
|
||||
#elif defined(__PGI)
|
||||
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
|
||||
#if defined(__PGI)
|
||||
print'(/,a,i4.4,a,i8.8)', ' Compiled with PGI fortran version :', __PGIC__,&
|
||||
'.', __PGIC_MINOR__
|
||||
#else
|
||||
print'(/,a)', ' Compiled with: '//compiler_version()
|
||||
print'(a)', ' Compiler options: '//compiler_options()
|
||||
#endif
|
||||
|
||||
write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__
|
||||
print'(/,a)', ' Compiled on: '//__DATE__//' at '//__TIME__
|
||||
|
||||
call date_and_time(values = dateAndTime)
|
||||
write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
|
||||
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
|
||||
|
||||
call MPI_Type_size(MPI_INTEGER,typeSize,err)
|
||||
if (err /= 0) call quit(1)
|
||||
if (typeSize*8 /= bit_size(0)) then
|
||||
write(6,'(a)') ' Mismatch between MPI and DAMASK integer'
|
||||
call quit(1)
|
||||
endif
|
||||
|
||||
call MPI_Type_size(MPI_DOUBLE,typeSize,err)
|
||||
if (err /= 0) call quit(1)
|
||||
if (typeSize*8 /= storage_size(0.0_pReal)) then
|
||||
write(6,'(a)') ' Mismatch between MPI and DAMASK real'
|
||||
call quit(1)
|
||||
endif
|
||||
print'(/,a,2(i2.2,a),i4.4)', ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
|
||||
print'(a,2(i2.2,a),i2.2)', ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
|
||||
|
||||
do i = 1, command_argument_count()
|
||||
call get_command_argument(i,arg,status=err)
|
||||
if (err /= 0) call quit(1)
|
||||
select case(trim(arg)) ! extract key
|
||||
case ('-h','--help')
|
||||
write(6,'(a)') ' #######################################################################'
|
||||
write(6,'(a)') ' DAMASK Command Line Interface:'
|
||||
write(6,'(a)') ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
|
||||
write(6,'(a,/)')' #######################################################################'
|
||||
write(6,'(a,/)')' Valid command line switches:'
|
||||
write(6,'(a)') ' --geom (-g, --geometry)'
|
||||
write(6,'(a)') ' --load (-l, --loadcase)'
|
||||
write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory)'
|
||||
write(6,'(a)') ' --restart (-r, --rs)'
|
||||
write(6,'(a)') ' --help (-h)'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Mandatory arguments:'
|
||||
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom'
|
||||
write(6,'(a)') ' Specifies the location of the geometry definition file.'
|
||||
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile'
|
||||
write(6,'(a)') ' Specifies the location of the load case definition file.'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Optional arguments:'
|
||||
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
|
||||
write(6,'(a)') ' Specifies the working directory and overwrites the default ./'
|
||||
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
||||
write(6,'(a)') ' directory.'
|
||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||
write(6,'(a)')' and "debug.config" in that directory.'
|
||||
write(6,'(/,a)')' --restart N'
|
||||
write(6,'(a)') ' Reads in increment N and continues with calculating'
|
||||
write(6,'(a)') ' increment N+1 based on this.'
|
||||
write(6,'(a)') ' Appends to existing results file'
|
||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.hdf5".'
|
||||
write(6,'(a)') ' Works only if the restart information for increment N'
|
||||
write(6,'(a)') ' is available in the working directory.'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Help:'
|
||||
write(6,'(/,a)')' --help'
|
||||
write(6,'(a,/)')' Prints this message and exits'
|
||||
print'(a)', ' #######################################################################'
|
||||
print'(a)', ' DAMASK Command Line Interface:'
|
||||
print'(a)', ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
|
||||
print'(a,/)',' #######################################################################'
|
||||
print'(a,/)',' Valid command line switches:'
|
||||
print'(a)', ' --geom (-g, --geometry)'
|
||||
print'(a)', ' --load (-l, --loadcase)'
|
||||
print'(a)', ' --workingdir (-w, --wd, --workingdirectory)'
|
||||
print'(a)', ' --restart (-r, --rs)'
|
||||
print'(a)', ' --help (-h)'
|
||||
print'(/,a)',' -----------------------------------------------------------------------'
|
||||
print'(a)', ' Mandatory arguments:'
|
||||
print'(/,a)',' --geom PathToGeomFile/NameOfGeom'
|
||||
print'(a)', ' Specifies the location of the geometry definition file.'
|
||||
print'(/,a)',' --load PathToLoadFile/NameOfLoadFile'
|
||||
print'(a)', ' Specifies the location of the load case definition file.'
|
||||
print'(/,a)',' -----------------------------------------------------------------------'
|
||||
print'(a)', ' Optional arguments:'
|
||||
print'(/,a)',' --workingdirectory PathToWorkingDirectory'
|
||||
print'(a)', ' Specifies the working directory and overwrites the default ./'
|
||||
print'(a)', ' Make sure the file "material.config" exists in the working'
|
||||
print'(a)', ' directory.'
|
||||
print'(a)', ' For further configuration place "numerics.config"'
|
||||
print'(a)',' and "debug.config" in that directory.'
|
||||
print'(/,a)',' --restart N'
|
||||
print'(a)', ' Reads in increment N and continues with calculating'
|
||||
print'(a)', ' increment N+1 based on this.'
|
||||
print'(a)', ' Appends to existing results file'
|
||||
print'(a)', ' "NameOfGeom_NameOfLoadFile.hdf5".'
|
||||
print'(a)', ' Works only if the restart information for increment N'
|
||||
print'(a)', ' is available in the working directory.'
|
||||
print'(/,a)',' -----------------------------------------------------------------------'
|
||||
print'(a)', ' Help:'
|
||||
print'(/,a)',' --help'
|
||||
print'(a,/)',' Prints this message and exits'
|
||||
call quit(0) ! normal Termination
|
||||
case ('-l', '--load', '--loadcase')
|
||||
call get_command_argument(i+1,loadCaseArg,status=err)
|
||||
|
@ -221,7 +172,7 @@ subroutine DAMASK_interface_init
|
|||
call get_command_argument(i+1,arg,status=err)
|
||||
read(arg,*,iostat=stat) interface_restartInc
|
||||
if (interface_restartInc < 0 .or. stat /=0) then
|
||||
write(6,'(/,a)') ' ERROR: Could not parse restart increment: '//trim(arg)
|
||||
print'(/,a)', ' ERROR: Could not parse restart increment: '//trim(arg)
|
||||
call quit(1)
|
||||
endif
|
||||
end select
|
||||
|
@ -229,40 +180,38 @@ subroutine DAMASK_interface_init
|
|||
enddo
|
||||
|
||||
if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
|
||||
write(6,'(/,a)') ' ERROR: Please specify geometry AND load case (-h for help)'
|
||||
print'(/,a)', ' ERROR: Please specify geometry AND load case (-h for help)'
|
||||
call quit(1)
|
||||
endif
|
||||
|
||||
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
|
||||
geometryFile = getGeometryFile(geometryArg)
|
||||
loadCaseFile = getLoadCaseFile(loadCaseArg)
|
||||
interface_geomFile = getGeometryFile(geometryArg)
|
||||
interface_loadFile = getLoadCaseFile(loadCaseArg)
|
||||
|
||||
call get_command(commandLine)
|
||||
call get_environment_variable('USER',userName)
|
||||
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
|
||||
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
|
||||
write(6,'(a,a)') ' Host name: ', trim(getHostName())
|
||||
write(6,'(a,a)') ' User name: ', trim(userName)
|
||||
print'(a)', ' Host name: '//trim(getHostName())
|
||||
print'(a)', ' User name: '//trim(userName)
|
||||
|
||||
write(6,'(/a,a)') ' Command line call: ', trim(commandLine)
|
||||
print'(/a)', ' Command line call: '//trim(commandLine)
|
||||
if (len_trim(workingDirArg) > 0) &
|
||||
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
|
||||
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
|
||||
write(6,'(a,a)') ' Load case argument: ', trim(loadcaseArg)
|
||||
write(6,'(a,a)') ' Working directory: ', getCWD()
|
||||
write(6,'(a,a)') ' Geometry file: ', geometryFile
|
||||
write(6,'(a,a)') ' Loadcase file: ', loadCaseFile
|
||||
write(6,'(a,a)') ' Solver job name: ', getSolverJobName()
|
||||
print'(a)', ' Working dir argument: '//trim(workingDirArg)
|
||||
print'(a)', ' Geometry argument: '//trim(geometryArg)
|
||||
print'(a)', ' Load case argument: '//trim(loadcaseArg)
|
||||
print'(a)', ' Working directory: '//getCWD()
|
||||
print'(a)', ' Geometry file: '//interface_geomFile
|
||||
print'(a)', ' Loadcase file: '//interface_loadFile
|
||||
print'(a)', ' Solver job name: '//getSolverJobName()
|
||||
if (interface_restartInc > 0) &
|
||||
write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
|
||||
print'(a,i6.6)', ' Restart from increment: ', interface_restartInc
|
||||
|
||||
!call signalterm_c(c_funloc(catchSIGTERM))
|
||||
call signalusr1_c(c_funloc(catchSIGUSR1))
|
||||
call signalusr2_c(c_funloc(catchSIGUSR2))
|
||||
call setSIGTERM(.false.)
|
||||
call setSIGUSR1(.false.)
|
||||
call setSIGUSR2(.false.)
|
||||
|
||||
call interface_setSIGTERM(.false.)
|
||||
call interface_setSIGUSR1(.false.)
|
||||
call interface_setSIGUSR2(.false.)
|
||||
|
||||
end subroutine DAMASK_interface_init
|
||||
|
||||
|
@ -288,7 +237,7 @@ subroutine setWorkingDirectory(workingDirectoryArg)
|
|||
workingDirectory = trim(rectifyPath(workingDirectory))
|
||||
error = setCWD(trim(workingDirectory))
|
||||
if(error) then
|
||||
write(6,'(/,a)') ' ERROR: Invalid Working directory: '//trim(workingDirectory)
|
||||
print*, 'ERROR: Invalid Working directory: '//trim(workingDirectory)
|
||||
call quit(1)
|
||||
endif
|
||||
|
||||
|
@ -303,15 +252,15 @@ function getSolverJobName()
|
|||
character(len=:), allocatable :: getSolverJobName
|
||||
integer :: posExt,posSep
|
||||
|
||||
posExt = scan(geometryFile,'.',back=.true.)
|
||||
posSep = scan(geometryFile,'/',back=.true.)
|
||||
posExt = scan(interface_geomFile,'.',back=.true.)
|
||||
posSep = scan(interface_geomFile,'/',back=.true.)
|
||||
|
||||
getSolverJobName = geometryFile(posSep+1:posExt-1)
|
||||
getSolverJobName = interface_geomFile(posSep+1:posExt-1)
|
||||
|
||||
posExt = scan(loadCaseFile,'.',back=.true.)
|
||||
posSep = scan(loadCaseFile,'/',back=.true.)
|
||||
posExt = scan(interface_loadFile,'.',back=.true.)
|
||||
posSep = scan(interface_loadFile,'/',back=.true.)
|
||||
|
||||
getSolverJobName = getSolverJobName//'_'//loadCaseFile(posSep+1:posExt-1)
|
||||
getSolverJobName = getSolverJobName//'_'//interface_loadFile(posSep+1:posExt-1)
|
||||
|
||||
end function getSolverJobName
|
||||
|
||||
|
@ -332,7 +281,7 @@ function getGeometryFile(geometryParameter)
|
|||
|
||||
inquire(file=getGeometryFile, exist=file_exists)
|
||||
if (.not. file_exists) then
|
||||
write(6,'(/,a)') ' ERROR: Geometry file does not exists ('//trim(getGeometryFile)//')'
|
||||
print*, 'ERROR: Geometry file does not exists: '//trim(getGeometryFile)
|
||||
call quit(1)
|
||||
endif
|
||||
|
||||
|
@ -355,7 +304,7 @@ function getLoadCaseFile(loadCaseParameter)
|
|||
|
||||
inquire(file=getLoadCaseFile, exist=file_exists)
|
||||
if (.not. file_exists) then
|
||||
write(6,'(/,a)') ' ERROR: Load case file does not exists ('//trim(getLoadCaseFile)//')'
|
||||
print*, 'ERROR: Load case file does not exists: '//trim(getLoadCaseFile)
|
||||
call quit(1)
|
||||
endif
|
||||
|
||||
|
@ -438,75 +387,78 @@ end function makeRelativePath
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets global variable SIGTERM to .true.
|
||||
!> @brief Set global variable interface_SIGTERM to .true.
|
||||
!> @details This function can be registered to catch signals send to the executable.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine catchSIGTERM(signal) bind(C)
|
||||
|
||||
integer(C_INT), value :: signal
|
||||
SIGTERM = .true.
|
||||
interface_SIGTERM = .true.
|
||||
|
||||
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGTERM'
|
||||
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGTERM=TRUE'
|
||||
|
||||
end subroutine catchSIGTERM
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets global variable SIGTERM
|
||||
!> @brief Set global variable interface_SIGTERM.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine setSIGTERM(state)
|
||||
subroutine interface_setSIGTERM(state)
|
||||
|
||||
logical, intent(in) :: state
|
||||
SIGTERM = state
|
||||
interface_SIGTERM = state
|
||||
|
||||
end subroutine setSIGTERM
|
||||
end subroutine interface_setSIGTERM
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets global variable SIGUSR1 to .true.
|
||||
!> @brief Set global variable interface_SIGUSR1 to .true.
|
||||
!> @details This function can be registered to catch signals send to the executable.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine catchSIGUSR1(signal) bind(C)
|
||||
|
||||
integer(C_INT), value :: signal
|
||||
SIGUSR1 = .true.
|
||||
interface_SIGUSR1 = .true.
|
||||
|
||||
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR1'
|
||||
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGUSR1=TRUE'
|
||||
|
||||
end subroutine catchSIGUSR1
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets global variable SIGUSR1
|
||||
!> @brief Set global variable interface_SIGUSR.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine setSIGUSR1(state)
|
||||
subroutine interface_setSIGUSR1(state)
|
||||
|
||||
logical, intent(in) :: state
|
||||
SIGUSR1 = state
|
||||
interface_SIGUSR1 = state
|
||||
|
||||
end subroutine setSIGUSR1
|
||||
end subroutine interface_setSIGUSR1
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
|
||||
!> @brief Set global variable interface_SIGUSR2 to .true.
|
||||
!> @details This function can be registered to catch signals send to the executable.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine catchSIGUSR2(signal) bind(C)
|
||||
|
||||
integer(C_INT), value :: signal
|
||||
SIGUSR2 = .true.
|
||||
interface_SIGUSR2 = .true.
|
||||
|
||||
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR2'
|
||||
print'(a,i2.2,a)', ' received signal ',signal, ', set SIGUSR2=TRUE'
|
||||
|
||||
end subroutine catchSIGUSR2
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief sets global variable SIGUSR2
|
||||
!> @brief Set global variable interface_SIGUSR2.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine setSIGUSR2(state)
|
||||
subroutine interface_setSIGUSR2(state)
|
||||
|
||||
logical, intent(in) :: state
|
||||
SIGUSR2 = state
|
||||
interface_SIGUSR2 = state
|
||||
|
||||
end subroutine setSIGUSR2
|
||||
end subroutine interface_setSIGUSR2
|
||||
|
||||
|
||||
end module
|
||||
|
|
|
@ -43,7 +43,6 @@ module DAMASK_interface
|
|||
logical, protected, public :: symmetricSolver
|
||||
character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat'
|
||||
|
||||
|
||||
public :: &
|
||||
DAMASK_interface_init, &
|
||||
getSolverJobName
|
||||
|
@ -59,33 +58,33 @@ subroutine DAMASK_interface_init
|
|||
integer :: ierr
|
||||
character(len=pPathLen) :: wd
|
||||
|
||||
write(6,'(/,a)') ' <<<+- DAMASK_marc init -+>>>'
|
||||
print'(/,a)', ' <<<+- DAMASK_marc init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
|
||||
print*, 'Roters et al., Computational Materials Science 158:420–478, 2019'
|
||||
print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030'
|
||||
|
||||
write(6,'(/,a)') ' Version: '//DAMASKVERSION
|
||||
print'(/,a)', ' Version: '//DAMASKVERSION
|
||||
|
||||
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
|
||||
#if __INTEL_COMPILER >= 1800
|
||||
write(6,'(/,a)') ' Compiled with: '//compiler_version()
|
||||
write(6,'(a)') ' Compiler options: '//compiler_options()
|
||||
print'(/,a)', ' Compiled with: '//compiler_version()
|
||||
print'(a)', ' Compiler options: '//compiler_options()
|
||||
#else
|
||||
write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
|
||||
print'(/,a,i4.4,a,i8.8)', ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
|
||||
', build date :', __INTEL_COMPILER_BUILD_DATE
|
||||
#endif
|
||||
|
||||
write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__
|
||||
print'(/,a)', ' Compiled on: '//__DATE__//' at '//__TIME__
|
||||
|
||||
call date_and_time(values = dateAndTime)
|
||||
write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
|
||||
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
|
||||
print'(/,a,2(i2.2,a),i4.4)', ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
|
||||
print'(a,2(i2.2,a),i2.2)', ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
|
||||
|
||||
inquire(5, name=wd)
|
||||
wd = wd(1:scan(wd,'/',back=.true.))
|
||||
ierr = CHDIR(wd)
|
||||
if (ierr /= 0) then
|
||||
write(6,'(a20,a,a16)') ' working directory "',trim(wd),'" does not exist'
|
||||
print*, 'working directory "'//trim(wd)//'" does not exist'
|
||||
call quit(1)
|
||||
endif
|
||||
symmetricSolver = solverIsSymmetric()
|
||||
|
@ -258,14 +257,14 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
|||
debug_Marc ! pointer to Marc debug options
|
||||
|
||||
if(debug_basic) then
|
||||
write(6,'(a,/,i8,i8,i2)') ' MSC.MARC information on shape of element(2), IP:', m, nn
|
||||
write(6,'(a,2(i1))') ' Jacobian: ', ngens,ngens
|
||||
write(6,'(a,i1)') ' Direct stress: ', ndi
|
||||
write(6,'(a,i1)') ' Shear stress: ', nshear
|
||||
write(6,'(a,i2)') ' DoF: ', ndeg
|
||||
write(6,'(a,i2)') ' Coordinates: ', ncrd
|
||||
write(6,'(a,i12)') ' Nodes: ', nnode
|
||||
write(6,'(a,i1)') ' Deformation gradient: ', itel
|
||||
print'(a,/,i8,i8,i2)', ' MSC.MARC information on shape of element(2), IP:', m, nn
|
||||
print'(a,2(i1))', ' Jacobian: ', ngens,ngens
|
||||
print'(a,i1)', ' Direct stress: ', ndi
|
||||
print'(a,i1)', ' Shear stress: ', nshear
|
||||
print'(a,i2)', ' DoF: ', ndeg
|
||||
print'(a,i2)', ' Coordinates: ', ncrd
|
||||
print'(a,i12)', ' Nodes: ', nnode
|
||||
print'(a,i1)', ' Deformation gradient: ', itel
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', &
|
||||
transpose(ffn)
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', &
|
||||
|
@ -278,7 +277,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
|||
if (.not. CPFEM_init_done) then
|
||||
CPFEM_init_done = .true.
|
||||
call CPFEM_initAll
|
||||
debug_Marc => debug_root%get('marc',defaultVal=emptyList)
|
||||
debug_Marc => config_debug%get('marc',defaultVal=emptyList)
|
||||
debug_basic = debug_Marc%contains('basic')
|
||||
endif
|
||||
|
||||
|
@ -296,22 +295,22 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
|||
lastIncConverged = .false.
|
||||
outdatedByNewInc = .false.
|
||||
lastLovl = lovl ! pretend that this is NOT the first after a lovl change
|
||||
write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> start of analysis..! ',m(1),nn
|
||||
print'(a,i6,1x,i2)', '<< HYPELA2 >> start of analysis..! ',m(1),nn
|
||||
else if (inc - theInc > 1) then ! >> restart of broken analysis <<
|
||||
lastIncConverged = .false.
|
||||
outdatedByNewInc = .false.
|
||||
write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> restart of analysis..! ',m(1),nn
|
||||
print'(a,i6,1x,i2)', '<< HYPELA2 >> restart of analysis..! ',m(1),nn
|
||||
else ! >> just the next inc <<
|
||||
lastIncConverged = .true.
|
||||
outdatedByNewInc = .true.
|
||||
write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> new increment..! ',m(1),nn
|
||||
print'(a,i6,1x,i2)', '<< HYPELA2 >> new increment..! ',m(1),nn
|
||||
endif
|
||||
else if ( timinc < theDelta ) then ! >> cutBack <<
|
||||
lastIncConverged = .false.
|
||||
outdatedByNewInc = .false.
|
||||
terminallyIll = .false.
|
||||
cycleCounter = -1 ! first calc step increments this to cycle = 0
|
||||
write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> cutback detected..! ',m(1),nn
|
||||
print'(a,i6,1x,i2)', '<< HYPELA2 >> cutback detected..! ',m(1),nn
|
||||
endif ! convergence treatment end
|
||||
flush(6)
|
||||
|
||||
|
|
|
@ -11,9 +11,9 @@ module HDF5_utilities
|
|||
#endif
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use IO
|
||||
use rotations
|
||||
use config
|
||||
|
||||
implicit none
|
||||
public
|
||||
|
@ -88,7 +88,7 @@ subroutine HDF5_utilities_init
|
|||
integer :: hdferr
|
||||
integer(SIZE_T) :: typeSize
|
||||
|
||||
write(6,'(/,a)') ' <<<+- HDF5_Utilities init -+>>>'
|
||||
print'(/,a)', ' <<<+- HDF5_Utilities init -+>>>'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!initialize HDF5 library and check if integer and float type size match
|
||||
|
@ -98,12 +98,12 @@ subroutine HDF5_utilities_init
|
|||
call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
|
||||
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
|
||||
if (int(bit_size(0),SIZE_T)/=typeSize*8) &
|
||||
call IO_error(0,ext_msg='Default integer size does not match H5T_NATIVE_INTEGER')
|
||||
error stop 'Default integer size does not match H5T_NATIVE_INTEGER'
|
||||
|
||||
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
|
||||
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
|
||||
if (int(storage_size(0.0_pReal),SIZE_T)/=typeSize*8) &
|
||||
call IO_error(0,ext_msg='pReal does not match H5T_NATIVE_DOUBLE')
|
||||
error stop 'pReal does not match H5T_NATIVE_DOUBLE'
|
||||
|
||||
end subroutine HDF5_utilities_init
|
||||
|
||||
|
|
153
src/IO.f90
153
src/IO.f90
|
@ -22,19 +22,11 @@ module IO
|
|||
'───────────────────'//&
|
||||
'────────────'
|
||||
|
||||
! Obsolete alias
|
||||
interface IO_read_ASCII
|
||||
module procedure IO_readlines
|
||||
end interface IO_read_ASCII
|
||||
|
||||
public :: &
|
||||
IO_init, &
|
||||
IO_read, &
|
||||
IO_readlines, &
|
||||
IO_read_ASCII, &
|
||||
IO_open_binary, &
|
||||
IO_isBlank, &
|
||||
IO_getTag, &
|
||||
IO_stringPos, &
|
||||
IO_stringValue, &
|
||||
IO_intValue, &
|
||||
|
@ -51,11 +43,11 @@ contains
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief do self test
|
||||
!> @brief Do self test.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine IO_init
|
||||
|
||||
write(6,'(/,a)') ' <<<+- IO init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- IO init -+>>>'; flush(6)
|
||||
|
||||
call selfTest
|
||||
|
||||
|
@ -63,7 +55,7 @@ end subroutine IO_init
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief read ASCII file and split at EOL
|
||||
!> @brief Read ASCII file and split at EOL.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function IO_readlines(fileName) result(fileContent)
|
||||
|
||||
|
@ -114,7 +106,7 @@ end function IO_readlines
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief read ASCII file into a string
|
||||
!> @brief Read whole file.
|
||||
!> @details ensures that the string ends with a new line (expected UNIX behavior)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function IO_read(fileName) result(fileContent)
|
||||
|
@ -146,40 +138,7 @@ end function IO_read
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief opens an existing file for reading or a new file for writing.
|
||||
!> @details replaces an existing file when writing
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function IO_open_binary(fileName,mode)
|
||||
|
||||
character(len=*), intent(in) :: fileName
|
||||
character, intent(in), optional :: mode
|
||||
|
||||
character :: m
|
||||
integer :: ierr
|
||||
|
||||
if (present(mode)) then
|
||||
m = mode
|
||||
else
|
||||
m = 'r'
|
||||
endif
|
||||
|
||||
if (m == 'w') then
|
||||
open(newunit=IO_open_binary, file=trim(fileName),&
|
||||
status='replace',access='stream',action='write',iostat=ierr)
|
||||
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (w): '//trim(fileName))
|
||||
elseif(m == 'r') then
|
||||
open(newunit=IO_open_binary, file=trim(fileName),&
|
||||
status='old', access='stream',action='read', iostat=ierr)
|
||||
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (r): '//trim(fileName))
|
||||
else
|
||||
call IO_error(100,ext_msg='unknown access mode: '//m)
|
||||
endif
|
||||
|
||||
end function IO_open_binary
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief identifies strings without content
|
||||
!> @brief Identifiy strings without content.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical pure function IO_isBlank(string)
|
||||
|
||||
|
@ -194,34 +153,8 @@ end function IO_isBlank
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief get tagged content of string
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function IO_getTag(string,openChar,closeChar)
|
||||
|
||||
character(len=*), intent(in) :: string !< string to check for tag
|
||||
character, intent(in) :: openChar, & !< indicates beginning of tag
|
||||
closeChar !< indicates end of tag
|
||||
character(len=:), allocatable :: IO_getTag
|
||||
|
||||
integer :: left,right
|
||||
|
||||
left = scan(string,openChar)
|
||||
right = merge(scan(string,closeChar), &
|
||||
left + merge(scan(string(left+1:),openChar),0,len(string) > left), &
|
||||
openChar /= closeChar)
|
||||
|
||||
foundTag: if (left == verify(string,IO_WHITESPACE) .and. right > left) then
|
||||
IO_getTag = string(left+1:right-1)
|
||||
else foundTag
|
||||
IO_getTag = ''
|
||||
endif foundTag
|
||||
|
||||
end function IO_getTag
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief locates all whitespace-separated chunks in given string and returns array containing
|
||||
!! number them and the left/right position to be used by IO_xxxVal
|
||||
!> @brief Locate all whitespace-separated chunks in given string and returns array containing
|
||||
!! number them and the left/right position to be used by IO_xxxVal.
|
||||
!! Array size is dynamically adjusted to number of chunks found in string
|
||||
!! IMPORTANT: first element contains number of chunks!
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -251,7 +184,7 @@ end function IO_stringPos
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads string value at myChunk from string
|
||||
!> @brief Read string value at myChunk from string.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function IO_stringValue(string,chunkPos,myChunk)
|
||||
|
||||
|
@ -271,7 +204,7 @@ end function IO_stringValue
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads integer value at myChunk from string
|
||||
!> @brief Read integer value at myChunk from string.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function IO_intValue(string,chunkPos,myChunk)
|
||||
|
||||
|
@ -285,7 +218,7 @@ end function IO_intValue
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads float value at myChunk from string
|
||||
!> @brief Read float value at myChunk from string.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function IO_floatValue(string,chunkPos,myChunk)
|
||||
|
||||
|
@ -299,7 +232,7 @@ end function IO_floatValue
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief changes characters in string to lower case
|
||||
!> @brief Convert characters in string to lower case.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function IO_lc(string)
|
||||
|
||||
|
@ -324,7 +257,7 @@ end function IO_lc
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! @brief Remove comments (characters beyond '#') and trailing space
|
||||
! @brief Remove comments (characters beyond '#') and trailing space.
|
||||
! ToDo: Discuss name (the trim aspect is not clear)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function IO_rmComment(line)
|
||||
|
@ -345,7 +278,7 @@ end function IO_rmComment
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return verified integer value in given string
|
||||
!> @brief Return integer value from given string.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function IO_stringAsInt(string)
|
||||
|
||||
|
@ -366,7 +299,7 @@ end function IO_stringAsInt
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return verified float value in given string
|
||||
!> @brief Return float value from given string.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function IO_stringAsFloat(string)
|
||||
|
||||
|
@ -387,7 +320,7 @@ end function IO_stringAsFloat
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return verified logical value in given string
|
||||
!> @brief Return logical value from given string.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical function IO_stringAsBool(string)
|
||||
|
||||
|
@ -406,7 +339,7 @@ end function IO_stringAsBool
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx
|
||||
!> @brief Write error statements to standard out and terminate the run with exit #9xxx
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
||||
|
||||
|
@ -635,7 +568,7 @@ end subroutine IO_error
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes warning statement to standard out
|
||||
!> @brief Write warning statement to standard out.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
|
||||
|
||||
|
@ -717,56 +650,56 @@ end subroutine IO_warning
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief check correctness of some IO functions
|
||||
!> @brief Check correctness of some IO functions.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest
|
||||
|
||||
integer, dimension(:), allocatable :: chunkPos
|
||||
character(len=:), allocatable :: str
|
||||
|
||||
if(dNeq(1.0_pReal, IO_stringAsFloat('1.0'))) call IO_error(0,ext_msg='IO_stringAsFloat')
|
||||
if(dNeq(1.0_pReal, IO_stringAsFloat('1e0'))) call IO_error(0,ext_msg='IO_stringAsFloat')
|
||||
if(dNeq(0.1_pReal, IO_stringAsFloat('1e-1'))) call IO_error(0,ext_msg='IO_stringAsFloat')
|
||||
if(dNeq(1.0_pReal, IO_stringAsFloat('1.0'))) error stop 'IO_stringAsFloat'
|
||||
if(dNeq(1.0_pReal, IO_stringAsFloat('1e0'))) error stop 'IO_stringAsFloat'
|
||||
if(dNeq(0.1_pReal, IO_stringAsFloat('1e-1'))) error stop 'IO_stringAsFloat'
|
||||
|
||||
if(3112019 /= IO_stringAsInt( '3112019')) call IO_error(0,ext_msg='IO_stringAsInt')
|
||||
if(3112019 /= IO_stringAsInt(' 3112019')) call IO_error(0,ext_msg='IO_stringAsInt')
|
||||
if(-3112019 /= IO_stringAsInt('-3112019')) call IO_error(0,ext_msg='IO_stringAsInt')
|
||||
if(3112019 /= IO_stringAsInt('+3112019 ')) call IO_error(0,ext_msg='IO_stringAsInt')
|
||||
if(3112019 /= IO_stringAsInt( '3112019')) error stop 'IO_stringAsInt'
|
||||
if(3112019 /= IO_stringAsInt(' 3112019')) error stop 'IO_stringAsInt'
|
||||
if(-3112019 /= IO_stringAsInt('-3112019')) error stop 'IO_stringAsInt'
|
||||
if(3112019 /= IO_stringAsInt('+3112019 ')) error stop 'IO_stringAsInt'
|
||||
|
||||
if(.not. IO_stringAsBool(' true')) call IO_error(0,ext_msg='IO_stringAsBool')
|
||||
if(.not. IO_stringAsBool(' True ')) call IO_error(0,ext_msg='IO_stringAsBool')
|
||||
if( IO_stringAsBool(' false')) call IO_error(0,ext_msg='IO_stringAsBool')
|
||||
if( IO_stringAsBool('False')) call IO_error(0,ext_msg='IO_stringAsBool')
|
||||
if(.not. IO_stringAsBool(' true')) error stop 'IO_stringAsBool'
|
||||
if(.not. IO_stringAsBool(' True ')) error stop 'IO_stringAsBool'
|
||||
if( IO_stringAsBool(' false')) error stop 'IO_stringAsBool'
|
||||
if( IO_stringAsBool('False')) error stop 'IO_stringAsBool'
|
||||
|
||||
if(any([1,1,1] /= IO_stringPos('a'))) call IO_error(0,ext_msg='IO_stringPos')
|
||||
if(any([2,2,3,5,5] /= IO_stringPos(' aa b'))) call IO_error(0,ext_msg='IO_stringPos')
|
||||
if(any([1,1,1] /= IO_stringPos('a'))) error stop 'IO_stringPos'
|
||||
if(any([2,2,3,5,5] /= IO_stringPos(' aa b'))) error stop 'IO_stringPos'
|
||||
|
||||
str=' 1.0 xxx'
|
||||
chunkPos = IO_stringPos(str)
|
||||
if(dNeq(1.0_pReal,IO_floatValue(str,chunkPos,1))) call IO_error(0,ext_msg='IO_floatValue')
|
||||
if(dNeq(1.0_pReal,IO_floatValue(str,chunkPos,1))) error stop 'IO_floatValue'
|
||||
|
||||
str='M 3112019 F'
|
||||
chunkPos = IO_stringPos(str)
|
||||
if(3112019 /= IO_intValue(str,chunkPos,2)) call IO_error(0,ext_msg='IO_intValue')
|
||||
if(3112019 /= IO_intValue(str,chunkPos,2)) error stop 'IO_intValue'
|
||||
|
||||
if(.not. IO_isBlank(' ')) call IO_error(0,ext_msg='IO_isBlank/1')
|
||||
if(.not. IO_isBlank(' #isBlank')) call IO_error(0,ext_msg='IO_isBlank/2')
|
||||
if( IO_isBlank(' i#s')) call IO_error(0,ext_msg='IO_isBlank/3')
|
||||
if(.not. IO_isBlank(' ')) error stop 'IO_isBlank/1'
|
||||
if(.not. IO_isBlank(' #isBlank')) error stop 'IO_isBlank/2'
|
||||
if( IO_isBlank(' i#s')) error stop 'IO_isBlank/3'
|
||||
|
||||
str = IO_rmComment('#')
|
||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/1')
|
||||
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/1'
|
||||
str = IO_rmComment(' #')
|
||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/2')
|
||||
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/2'
|
||||
str = IO_rmComment(' # ')
|
||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/3')
|
||||
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/3'
|
||||
str = IO_rmComment(' # a')
|
||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/4')
|
||||
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/4'
|
||||
str = IO_rmComment(' # a')
|
||||
if (str /= '' .or. len(str) /= 0) call IO_error(0,ext_msg='IO_rmComment/5')
|
||||
if (str /= '' .or. len(str) /= 0) error stop 'IO_rmComment/5'
|
||||
str = IO_rmComment(' a#')
|
||||
if (str /= ' a' .or. len(str) /= 2) call IO_error(0,ext_msg='IO_rmComment/6')
|
||||
if (str /= ' a' .or. len(str) /= 2) error stop 'IO_rmComment/6'
|
||||
str = IO_rmComment(' ab #')
|
||||
if (str /= ' ab'.or. len(str) /= 3) call IO_error(0,ext_msg='IO_rmComment/7')
|
||||
if (str /= ' ab'.or. len(str) /= 3) error stop 'IO_rmComment/7'
|
||||
|
||||
end subroutine selfTest
|
||||
|
||||
|
|
|
@ -13,20 +13,32 @@ module YAML_parse
|
|||
private
|
||||
|
||||
public :: &
|
||||
YAML_init, &
|
||||
parse_flow, &
|
||||
to_flow
|
||||
YAML_parse_init, &
|
||||
YAML_parse_file
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief do sanity checks
|
||||
!> @brief Do sanity checks.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine YAML_init
|
||||
subroutine YAML_parse_init
|
||||
|
||||
call selfTest
|
||||
|
||||
end subroutine YAML_init
|
||||
end subroutine YAML_parse_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Parse a YAML file into a a structure of nodes.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function YAML_parse_file(fname) result(node)
|
||||
|
||||
character(len=*), intent(in) :: fname
|
||||
class (tNode), pointer :: node
|
||||
|
||||
node => parse_flow(to_flow(IO_read(fname)))
|
||||
|
||||
end function YAML_parse_file
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -558,37 +570,39 @@ end function to_flow
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest()
|
||||
!> @brief Check correctness of some YAML functions.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest
|
||||
|
||||
if (indentDepth(' a') /= 1) call IO_error(0,ext_msg='indentDepth')
|
||||
if (indentDepth('a') /= 0) call IO_error(0,ext_msg='indentDepth')
|
||||
if (indentDepth('x ') /= 0) call IO_error(0,ext_msg='indentDepth')
|
||||
if (indentDepth(' a') /= 1) error stop 'indentDepth'
|
||||
if (indentDepth('a') /= 0) error stop 'indentDepth'
|
||||
if (indentDepth('x ') /= 0) error stop 'indentDepth'
|
||||
|
||||
if ( isFlow(' a')) call IO_error(0,ext_msg='isFLow')
|
||||
if (.not. isFlow('{')) call IO_error(0,ext_msg='isFlow')
|
||||
if (.not. isFlow(' [')) call IO_error(0,ext_msg='isFlow')
|
||||
if ( isFlow(' a')) error stop 'isFLow'
|
||||
if (.not. isFlow('{')) error stop 'isFlow'
|
||||
if (.not. isFlow(' [')) error stop 'isFlow'
|
||||
|
||||
if ( isListItem(' a')) call IO_error(0,ext_msg='isListItem')
|
||||
if ( isListItem(' -b')) call IO_error(0,ext_msg='isListItem')
|
||||
if (.not. isListItem('- a ')) call IO_error(0,ext_msg='isListItem')
|
||||
if (.not. isListItem('- -a ')) call IO_error(0,ext_msg='isListItem')
|
||||
if ( isListItem(' a')) error stop 'isListItem'
|
||||
if ( isListItem(' -b')) error stop 'isListItem'
|
||||
if (.not. isListItem('- a ')) error stop 'isListItem'
|
||||
if (.not. isListItem('- -a ')) error stop 'isListItem'
|
||||
|
||||
if ( isKeyValue(' a')) call IO_error(0,ext_msg='isKeyValue')
|
||||
if ( isKeyValue(' a: ')) call IO_error(0,ext_msg='isKeyValue')
|
||||
if (.not. isKeyValue(' a: b')) call IO_error(0,ext_msg='isKeyValue')
|
||||
if ( isKeyValue(' a')) error stop 'isKeyValue'
|
||||
if ( isKeyValue(' a: ')) error stop 'isKeyValue'
|
||||
if (.not. isKeyValue(' a: b')) error stop 'isKeyValue'
|
||||
|
||||
if ( isKey(' a')) call IO_error(0,ext_msg='isKey')
|
||||
if ( isKey('{a:b}')) call IO_error(0,ext_msg='isKey')
|
||||
if ( isKey(' a:b')) call IO_error(0,ext_msg='isKey')
|
||||
if (.not. isKey(' a: ')) call IO_error(0,ext_msg='isKey')
|
||||
if (.not. isKey(' a:')) call IO_error(0,ext_msg='isKey')
|
||||
if (.not. isKey(' a: #')) call IO_error(0,ext_msg='isKey')
|
||||
if ( isKey(' a')) error stop 'isKey'
|
||||
if ( isKey('{a:b}')) error stop 'isKey'
|
||||
if ( isKey(' a:b')) error stop 'isKey'
|
||||
if (.not. isKey(' a: ')) error stop 'isKey'
|
||||
if (.not. isKey(' a:')) error stop 'isKey'
|
||||
if (.not. isKey(' a: #')) error stop 'isKey'
|
||||
|
||||
if( isScalar('a: ')) call IO_error(0,ext_msg='isScalar')
|
||||
if( isScalar('a: b')) call IO_error(0,ext_msg='isScalar')
|
||||
if( isScalar('{a:b}')) call IO_error(0,ext_msg='isScalar')
|
||||
if( isScalar('- a:')) call IO_error(0,ext_msg='isScalar')
|
||||
if(.not. isScalar(' a')) call IO_error(0,ext_msg='isScalar')
|
||||
if( isScalar('a: ')) error stop 'isScalar'
|
||||
if( isScalar('a: b')) error stop 'isScalar'
|
||||
if( isScalar('{a:b}')) error stop 'isScalar'
|
||||
if( isScalar('- a:')) error stop 'isScalar'
|
||||
if(.not. isScalar(' a')) error stop 'isScalar'
|
||||
|
||||
basic_list: block
|
||||
character(len=*), parameter :: block_list = &
|
||||
|
@ -602,8 +616,8 @@ subroutine selfTest()
|
|||
character(len=*), parameter :: flow_list = &
|
||||
"[Casablanca, North by Northwest]"
|
||||
|
||||
if (.not. to_flow(block_list) == flow_list) call IO_error(0,ext_msg='to_flow')
|
||||
if (.not. to_flow(block_list_newline) == flow_list) call IO_error(0,ext_msg='to_flow')
|
||||
if (.not. to_flow(block_list) == flow_list) error stop 'to_flow'
|
||||
if (.not. to_flow(block_list_newline) == flow_list) error stop 'to_flow'
|
||||
end block basic_list
|
||||
|
||||
basic_dict: block
|
||||
|
@ -618,8 +632,8 @@ subroutine selfTest()
|
|||
character(len=*), parameter :: flow_dict = &
|
||||
"{aa: Casablanca, bb: North by Northwest}"
|
||||
|
||||
if (.not. to_flow(block_dict) == flow_dict) call IO_error(0,ext_msg='to_flow')
|
||||
if (.not. to_flow(block_dict_newline) == flow_dict) call IO_error(0,ext_msg='to_flow')
|
||||
if (.not. to_flow(block_dict) == flow_dict) error stop 'to_flow'
|
||||
if (.not. to_flow(block_dict_newline) == flow_dict) error stop 'to_flow'
|
||||
end block basic_dict
|
||||
|
||||
basic_flow: block
|
||||
|
@ -630,8 +644,8 @@ subroutine selfTest()
|
|||
character(len=*), parameter :: flow = &
|
||||
"{source: [{param: 1}, {param: 2}, {param: 3}, {param: 4}]}"
|
||||
|
||||
if (.not. to_flow(flow_braces) == flow) call IO_error(0,ext_msg='to_flow')
|
||||
if (.not. to_flow(flow_mixed_braces) == flow) call IO_error(0,ext_msg='to_flow')
|
||||
if (.not. to_flow(flow_braces) == flow) error stop 'to_flow'
|
||||
if (.not. to_flow(flow_mixed_braces) == flow) error stop 'to_flow'
|
||||
end block basic_flow
|
||||
|
||||
basic_mixed: block
|
||||
|
@ -645,7 +659,7 @@ subroutine selfTest()
|
|||
character(len=*), parameter :: mixed_flow = &
|
||||
"{aa: [{param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}, {c: d}], bb: [{param_1: [{a: b}, c, {d: {e: [{f: g}, h]}}]}]}"
|
||||
|
||||
if(.not. to_flow(block_flow) == mixed_flow) call IO_error(0,ext_msg='to_flow')
|
||||
if(.not. to_flow(block_flow) == mixed_flow) error stop 'to_flow'
|
||||
end block basic_mixed
|
||||
|
||||
end subroutine selfTest
|
||||
|
|
|
@ -185,11 +185,11 @@ module YAML_types
|
|||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief do sanity checks
|
||||
!> @brief Do sanity checks.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine YAML_types_init
|
||||
|
||||
write(6,'(/,a)') ' <<<+- YAML_types init -+>>>'
|
||||
print'(/,a)', ' <<<+- YAML_types init -+>>>'
|
||||
|
||||
call selfTest
|
||||
|
||||
|
@ -197,7 +197,7 @@ end subroutine YAML_types_init
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief check correctness of some type bound procedures
|
||||
!> @brief Check correctness of some type bound procedures.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest
|
||||
|
||||
|
@ -207,11 +207,11 @@ subroutine selfTest
|
|||
select type(s1)
|
||||
class is(tScalar)
|
||||
s1 = '1'
|
||||
if(s1%asInt() /= 1) call IO_error(0,ext_msg='tScalar_asInt')
|
||||
if(dNeq(s1%asFloat(),1.0_pReal)) call IO_error(0,ext_msg='tScalar_asFloat')
|
||||
if(s1%asInt() /= 1) error stop 'tScalar_asInt'
|
||||
if(dNeq(s1%asFloat(),1.0_pReal)) error stop 'tScalar_asFloat'
|
||||
s1 = 'true'
|
||||
if(.not. s1%asBool()) call IO_error(0,ext_msg='tScalar_asBool')
|
||||
if(s1%asString() /= 'true') call IO_error(0,ext_msg='tScalar_asString')
|
||||
if(.not. s1%asBool()) error stop 'tScalar_asBool'
|
||||
if(s1%asString() /= 'true') error stop 'tScalar_asString'
|
||||
end select
|
||||
|
||||
block
|
||||
|
@ -232,18 +232,18 @@ subroutine selfTest
|
|||
call l1%append(s1)
|
||||
call l1%append(s2)
|
||||
n => l1
|
||||
if(any(l1%asInts() /= [2,3])) call IO_error(0,ext_msg='tList_asInts')
|
||||
if(any(dNeq(l1%asFloats(),[2.0_pReal,3.0_pReal]))) call IO_error(0,ext_msg='tList_asFloats')
|
||||
if(n%get_asInt(1) /= 2) call IO_error(0,ext_msg='byIndex_asInt')
|
||||
if(dNeq(n%get_asFloat(2),3.0_pReal)) call IO_error(0,ext_msg='byIndex_asFloat')
|
||||
if(any(l1%asInts() /= [2,3])) error stop 'tList_asInts'
|
||||
if(any(dNeq(l1%asFloats(),[2.0_pReal,3.0_pReal]))) error stop 'tList_asFloats'
|
||||
if(n%get_asInt(1) /= 2) error stop 'byIndex_asInt'
|
||||
if(dNeq(n%get_asFloat(2),3.0_pReal)) error stop 'byIndex_asFloat'
|
||||
endselect
|
||||
|
||||
allocate(tList::l2)
|
||||
select type(l2)
|
||||
class is(tList)
|
||||
call l2%append(l1)
|
||||
if(any(l2%get_asInts(1) /= [2,3])) call IO_error(0,ext_msg='byIndex_asInts')
|
||||
if(any(dNeq(l2%get_asFloats(1),[2.0_pReal,3.0_pReal]))) call IO_error(0,ext_msg='byIndex_asFloats')
|
||||
if(any(l2%get_asInts(1) /= [2,3])) error stop 'byIndex_asInts'
|
||||
if(any(dNeq(l2%get_asFloats(1),[2.0_pReal,3.0_pReal]))) error stop 'byIndex_asFloats'
|
||||
n => l2
|
||||
end select
|
||||
deallocate(n)
|
||||
|
@ -265,10 +265,10 @@ subroutine selfTest
|
|||
call l1%append(s2)
|
||||
n => l1
|
||||
|
||||
if(any(l1%asBools() .neqv. [.true., .false.])) call IO_error(0,ext_msg='tList_asBools')
|
||||
if(any(l1%asStrings() /= ['true ','False'])) call IO_error(0,ext_msg='tList_asStrings')
|
||||
if(n%get_asBool(2)) call IO_error(0,ext_msg='byIndex_asBool')
|
||||
if(n%get_asString(1) /= 'true') call IO_error(0,ext_msg='byIndex_asString')
|
||||
if(any(l1%asBools() .neqv. [.true., .false.])) error stop 'tList_asBools'
|
||||
if(any(l1%asStrings() /= ['true ','False'])) error stop 'tList_asStrings'
|
||||
if(n%get_asBool(2)) error stop 'byIndex_asBool'
|
||||
if(n%get_asString(1) /= 'true') error stop 'byIndex_asString'
|
||||
end block
|
||||
|
||||
end subroutine selfTest
|
||||
|
|
|
@ -27,7 +27,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine base64_init
|
||||
|
||||
write(6,'(/,a)') ' <<<+- base64 init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- base64 init -+>>>'; flush(6)
|
||||
|
||||
call selfTest
|
||||
|
||||
|
@ -167,59 +167,59 @@ subroutine selfTest
|
|||
character(len=*), parameter :: zero_to_three = 'AAECAw=='
|
||||
|
||||
! https://en.wikipedia.org/wiki/Base64#Output_padding
|
||||
if(base64_nChar(20_pI64) /= 28_pI64) call IO_error(0,ext_msg='base64_nChar/20/28')
|
||||
if(base64_nChar(19_pI64) /= 28_pI64) call IO_error(0,ext_msg='base64_nChar/19/28')
|
||||
if(base64_nChar(18_pI64) /= 24_pI64) call IO_error(0,ext_msg='base64_nChar/18/24')
|
||||
if(base64_nChar(17_pI64) /= 24_pI64) call IO_error(0,ext_msg='base64_nChar/17/24')
|
||||
if(base64_nChar(16_pI64) /= 24_pI64) call IO_error(0,ext_msg='base64_nChar/16/24')
|
||||
if(base64_nChar(20_pI64) /= 28_pI64) error stop 'base64_nChar/20/28'
|
||||
if(base64_nChar(19_pI64) /= 28_pI64) error stop 'base64_nChar/19/28'
|
||||
if(base64_nChar(18_pI64) /= 24_pI64) error stop 'base64_nChar/18/24'
|
||||
if(base64_nChar(17_pI64) /= 24_pI64) error stop 'base64_nChar/17/24'
|
||||
if(base64_nChar(16_pI64) /= 24_pI64) error stop 'base64_nChar/16/24'
|
||||
|
||||
if(base64_nByte(4_pI64) /= 3_pI64) call IO_error(0,ext_msg='base64_nByte/4/3')
|
||||
if(base64_nByte(8_pI64) /= 6_pI64) call IO_error(0,ext_msg='base64_nByte/8/6')
|
||||
if(base64_nByte(4_pI64) /= 3_pI64) error stop 'base64_nByte/4/3'
|
||||
if(base64_nByte(8_pI64) /= 6_pI64) error stop 'base64_nByte/8/6'
|
||||
|
||||
bytes = base64_to_bytes(zero_to_three)
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes//')
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes//'
|
||||
|
||||
bytes = base64_to_bytes(zero_to_three,e=1_pI64)
|
||||
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes//1')
|
||||
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes//1'
|
||||
bytes = base64_to_bytes(zero_to_three,e=2_pI64)
|
||||
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes//2')
|
||||
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes//2'
|
||||
bytes = base64_to_bytes(zero_to_three,e=3_pI64)
|
||||
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes//3')
|
||||
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes//3'
|
||||
bytes = base64_to_bytes(zero_to_three,e=4_pI64)
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes//4')
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes//4'
|
||||
|
||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64)
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes/1/')
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes/1/'
|
||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64)
|
||||
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes/2/')
|
||||
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes/2/'
|
||||
bytes = base64_to_bytes(zero_to_three,s=3_pI64)
|
||||
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/3/')
|
||||
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/3/'
|
||||
bytes = base64_to_bytes(zero_to_three,s=4_pI64)
|
||||
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/4/')
|
||||
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/4/'
|
||||
|
||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=1_pI64)
|
||||
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/1/1')
|
||||
if(any(bytes /= int([0],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/1/1'
|
||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=2_pI64)
|
||||
if(any(bytes /= int([1],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/2/2')
|
||||
if(any(bytes /= int([1],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/2/2'
|
||||
bytes = base64_to_bytes(zero_to_three,s=3_pI64,e=3_pI64)
|
||||
if(any(bytes /= int([2],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/3/3')
|
||||
if(any(bytes /= int([2],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/3/3'
|
||||
bytes = base64_to_bytes(zero_to_three,s=4_pI64,e=4_pI64)
|
||||
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) call IO_error(0,ext_msg='base64_to_bytes/4/4')
|
||||
if(any(bytes /= int([3],C_SIGNED_CHAR)) .or. size(bytes) /= 1) error stop 'base64_to_bytes/4/4'
|
||||
|
||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=2_pI64)
|
||||
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/1/2')
|
||||
if(any(bytes /= int([0,1],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/1/2'
|
||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=3_pI64)
|
||||
if(any(bytes /= int([1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/2/3')
|
||||
if(any(bytes /= int([1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/2/3'
|
||||
bytes = base64_to_bytes(zero_to_three,s=3_pI64,e=4_pI64)
|
||||
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) call IO_error(0,ext_msg='base64_to_bytes/3/4')
|
||||
if(any(bytes /= int([2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 2) error stop 'base64_to_bytes/3/4'
|
||||
|
||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=3_pI64)
|
||||
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes/1/3')
|
||||
if(any(bytes /= int([0,1,2],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes/1/3'
|
||||
bytes = base64_to_bytes(zero_to_three,s=2_pI64,e=4_pI64)
|
||||
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) call IO_error(0,ext_msg='base64_to_bytes/2/4')
|
||||
if(any(bytes /= int([1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 3) error stop 'base64_to_bytes/2/4'
|
||||
|
||||
bytes = base64_to_bytes(zero_to_three,s=1_pI64,e=4_pI64)
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) call IO_error(0,ext_msg='base64_to_bytes/1/4')
|
||||
if(any(bytes /= int([0,1,2,3],C_SIGNED_CHAR)) .or. size(bytes) /= 4) error stop 'base64_to_bytes/1/4'
|
||||
|
||||
end subroutine selfTest
|
||||
|
||||
|
|
|
@ -3,6 +3,7 @@
|
|||
!> @brief all DAMASK files without solver
|
||||
!> @details List of files needed by MSC.Marc
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
#include "parallelization.f90"
|
||||
#include "IO.f90"
|
||||
#include "YAML_types.f90"
|
||||
#include "YAML_parse.f90"
|
||||
|
|
|
@ -15,22 +15,14 @@ module config
|
|||
#include <petsc/finclude/petscsys.h>
|
||||
use petscsys
|
||||
#endif
|
||||
!$ use OMP_LIB
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
class(tNode), pointer, public :: &
|
||||
material_root, &
|
||||
numerics_root, &
|
||||
debug_root
|
||||
|
||||
integer, protected, public :: &
|
||||
worldrank = 0, & !< MPI worldrank (/=0 for MPI simulations only)
|
||||
worldsize = 1 !< MPI worldsize (/=1 for MPI simulations only)
|
||||
integer(4), protected, public :: &
|
||||
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
|
||||
|
||||
config_material, &
|
||||
config_numerics, &
|
||||
config_debug
|
||||
|
||||
public :: &
|
||||
config_init, &
|
||||
|
@ -39,27 +31,26 @@ module config
|
|||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calls subroutines that reads material, numerics and debug configuration files
|
||||
!> @brief Real *.yaml configuration files.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine config_init
|
||||
|
||||
write(6,'(/,a)') ' <<<+- config init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- config init -+>>>'; flush(6)
|
||||
|
||||
call parse_material
|
||||
call parse_numerics
|
||||
call parse_debug
|
||||
|
||||
|
||||
end subroutine config_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads material.yaml
|
||||
!> @brief Read material.yaml or <jobname>.yaml.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine parse_material
|
||||
|
||||
logical :: fileExists
|
||||
character(len=:), allocatable :: fname,flow
|
||||
character(len=:), allocatable :: fname
|
||||
|
||||
fname = getSolverJobName()//'.yaml'
|
||||
inquire(file=fname,exist=fileExists)
|
||||
|
@ -68,87 +59,53 @@ subroutine parse_material
|
|||
inquire(file=fname,exist=fileExists)
|
||||
if(.not. fileExists) call IO_error(100,ext_msg=fname)
|
||||
endif
|
||||
|
||||
write(6,'(/,a)') ' reading '//fname; flush(6)
|
||||
flow = to_flow(IO_read(fname))
|
||||
material_root => parse_flow(flow)
|
||||
print*, 'reading '//fname; flush(6)
|
||||
config_material => YAML_parse_file(fname)
|
||||
|
||||
end subroutine parse_material
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads in parameters from numerics.yaml and sets openMP related parameters. Also does
|
||||
! a sanity check
|
||||
!> @brief Read numerics.yaml.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine parse_numerics
|
||||
|
||||
!$ integer :: gotDAMASK_NUM_THREADS = 1
|
||||
integer :: ierr
|
||||
character(len=:), allocatable :: &
|
||||
numerics_inFlow
|
||||
logical :: fexist
|
||||
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
|
||||
|
||||
#ifdef PETSc
|
||||
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
||||
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
|
||||
#endif
|
||||
|
||||
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
|
||||
!$ if(gotDAMASK_NUM_THREADS /= 0) then ! could not get number of threads, set it to 1
|
||||
!$ call IO_warning(35,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END')
|
||||
!$ DAMASK_NumThreadsInt = 1_4
|
||||
!$ else
|
||||
!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! read as integer
|
||||
!$ if (DAMASK_NumThreadsInt < 1_4) DAMASK_NumThreadsInt = 1_4 ! in case of string conversion fails, set it to one
|
||||
!$ endif
|
||||
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution
|
||||
|
||||
numerics_root => emptyDict
|
||||
config_numerics => emptyDict
|
||||
inquire(file='numerics.yaml', exist=fexist)
|
||||
|
||||
if (fexist) then
|
||||
write(6,'(a,/)') ' using values from config.yaml file'
|
||||
flush(6)
|
||||
numerics_inFlow = to_flow(IO_read('numerics.yaml'))
|
||||
numerics_root => parse_flow(numerics_inFlow)
|
||||
print*, 'reading numerics.yaml'; flush(6)
|
||||
config_numerics => YAML_parse_file('numerics.yaml')
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! openMP parameter
|
||||
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
|
||||
|
||||
end subroutine parse_numerics
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads in parameters from debug.yaml
|
||||
!> @brief Read debug.yaml.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine parse_debug
|
||||
|
||||
character(len=:), allocatable :: debug_inFlow
|
||||
logical :: fexist
|
||||
|
||||
#ifdef DEBUG
|
||||
write(6,'(a)') achar(27)//'[31m <<<+- DEBUG version -+>>>'//achar(27)//'[0m'
|
||||
#endif
|
||||
|
||||
debug_root => emptyDict
|
||||
config_debug => emptyDict
|
||||
inquire(file='debug.yaml', exist=fexist)
|
||||
fileExists: if (fexist) then
|
||||
debug_inFlow = to_flow(IO_read('debug.yaml'))
|
||||
debug_root => parse_flow(debug_inFlow)
|
||||
print*, 'reading debug.yaml'; flush(6)
|
||||
config_debug => YAML_parse_file('debug.yaml')
|
||||
endif fileExists
|
||||
|
||||
end subroutine parse_debug
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief deallocates material.yaml structure
|
||||
!> @brief Deallocate config_material.
|
||||
!ToDo: deallocation of numerics debug (optional)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine config_deallocate
|
||||
|
||||
deallocate(material_root) !ToDo: deallocation of numerics and debug (slightly different for optional files)
|
||||
deallocate(config_material)
|
||||
|
||||
end subroutine config_deallocate
|
||||
|
||||
|
|
|
@ -394,17 +394,17 @@ subroutine constitutive_init
|
|||
elastic, &
|
||||
stiffDegradation
|
||||
|
||||
debug_constitutive => debug_root%get('constitutive', defaultVal=emptyList)
|
||||
debug_constitutive => config_debug%get('constitutive', defaultVal=emptyList)
|
||||
debugConstitutive%basic = debug_constitutive%contains('basic')
|
||||
debugConstitutive%extensive = debug_constitutive%contains('extensive')
|
||||
debugConstitutive%selective = debug_constitutive%contains('selective')
|
||||
debugConstitutive%element = debug_root%get_asInt('element',defaultVal = 1)
|
||||
debugConstitutive%ip = debug_root%get_asInt('integrationpoint',defaultVal = 1)
|
||||
debugConstitutive%grain = debug_root%get_asInt('grain',defaultVal = 1)
|
||||
debugConstitutive%element = config_debug%get_asInt('element',defaultVal = 1)
|
||||
debugConstitutive%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
||||
debugConstitutive%grain = config_debug%get_asInt('grain',defaultVal = 1)
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! initialize elasticity (hooke) !ToDO: Maybe move to elastic submodule along with function homogenizedC?
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(phase_elasticity(phases%length), source = ELASTICITY_undefined_ID)
|
||||
allocate(phase_elasticityInstance(phases%length), source = 0)
|
||||
allocate(phase_NstiffnessDegradations(phases%length),source=0)
|
||||
|
@ -446,7 +446,7 @@ subroutine constitutive_init
|
|||
call damage_init
|
||||
call thermal_init
|
||||
|
||||
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- constitutive init -+>>>'; flush(6)
|
||||
|
||||
constitutive_source_maxSizeDotState = 0
|
||||
PhaseLoop2:do p = 1,phases%length
|
||||
|
@ -483,7 +483,7 @@ module function source_active(source_label,src_length) result(active_source)
|
|||
src
|
||||
integer :: p,s
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(active_source(src_length,phases%length), source = .false. )
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
@ -515,7 +515,7 @@ module function kinematics_active(kinematics_label,kinematics_length) result(ac
|
|||
kinematics_type
|
||||
integer :: p,k
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
|
|
@ -117,7 +117,7 @@ module subroutine damage_init
|
|||
sources, &
|
||||
kinematics
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
|
||||
allocate(sourceState (phases%length))
|
||||
allocate(phase_Nsources(phases%length),source = 0) ! same for kinematics
|
||||
|
|
|
@ -198,7 +198,9 @@ module subroutine plastic_init
|
|||
integer :: p
|
||||
class(tNode), pointer :: phases
|
||||
|
||||
phases => material_root%get('phase')
|
||||
print'(/,a)', ' <<<+- constitutive_plastic init -+>>>'
|
||||
|
||||
phases => config_material%get('phase')
|
||||
|
||||
allocate(plasticState(phases%length))
|
||||
allocate(phase_plasticity(phases%length),source = PLASTICITY_undefined_ID)
|
||||
|
@ -235,7 +237,7 @@ module function plastic_active(plastic_label) result(active_plastic)
|
|||
pl
|
||||
integer :: p
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(active_plastic(phases%length), source = .false. )
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
|
|
@ -96,23 +96,22 @@ module function plastic_disloTungsten_init() result(myPlasticity)
|
|||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- plastic_disloTungsten init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
|
||||
write(6,'(a)') ' https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
|
||||
print'(/,a)', ' <<<+- plastic_dislotungsten init -+>>>'
|
||||
|
||||
myPlasticity = plastic_active('disloTungsten')
|
||||
|
||||
Ninstance = count(myPlasticity)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
print*, 'Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
|
||||
print*, 'https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
|
||||
|
||||
allocate(param(Ninstance))
|
||||
allocate(state(Ninstance))
|
||||
allocate(dotState(Ninstance))
|
||||
allocate(dependentState(Ninstance))
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
i = 0
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
|
|
@ -143,29 +143,28 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- constitutive_dislotwin init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012'
|
||||
|
||||
write(6,'(/,a)') ' Roters et al., Computational Materials Science 39:91–95, 2007'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014'
|
||||
|
||||
write(6,'(/,a)') ' Wong et al., Acta Materialia 118:140–151, 2016'
|
||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032'
|
||||
print'(/,a)', ' <<<+- plastic_dislotwin init -+>>>'
|
||||
|
||||
myPlasticity = plastic_active('dislotwin')
|
||||
|
||||
Ninstance = count(myPlasticity)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
print*, 'Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
|
||||
print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
|
||||
|
||||
print*, 'Roters et al., Computational Materials Science 39:91–95, 2007'
|
||||
print*, 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
|
||||
|
||||
print*, 'Wong et al., Acta Materialia 118:140–151, 2016'
|
||||
print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
|
||||
|
||||
allocate(param(Ninstance))
|
||||
allocate(state(Ninstance))
|
||||
allocate(dotState(Ninstance))
|
||||
allocate(dependentState(Ninstance))
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
i = 0
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
|
|
@ -67,23 +67,21 @@ module function plastic_isotropic_init() result(myPlasticity)
|
|||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- plastic_isotropic init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.scriptamat.2017.09.047'
|
||||
|
||||
print'(/,a)', ' <<<+- plastic_isotropic init -+>>>'
|
||||
|
||||
myPlasticity = plastic_active('isotropic')
|
||||
|
||||
Ninstance = count(myPlasticity)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
print*, 'Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
|
||||
print*, 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
|
||||
|
||||
allocate(param(Ninstance))
|
||||
allocate(state(Ninstance))
|
||||
allocate(dotState(Ninstance))
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
i = 0
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
@ -203,10 +201,10 @@ module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
|
|||
Lp = dot_gamma/prm%M * Mp_dev/norm_Mp_dev
|
||||
#ifdef DEBUG
|
||||
if (debugConstitutive%extensive .and. (of == prm%of_debug .or. .not. debugConstitutive%selective)) then
|
||||
write(6,'(/,a,/,3(12x,3(f12.4,1x)/))') '<< CONST isotropic >> Tstar (dev) / MPa', &
|
||||
print'(/,a,/,3(12x,3(f12.4,1x)/))', '<< CONST isotropic >> Tstar (dev) / MPa', &
|
||||
transpose(Mp_dev)*1.0e-6_pReal
|
||||
write(6,'(/,a,/,f12.5)') '<< CONST isotropic >> norm Tstar / MPa', norm_Mp_dev*1.0e-6_pReal
|
||||
write(6,'(/,a,/,f12.5)') '<< CONST isotropic >> gdot', dot_gamma
|
||||
print'(/,a,/,f12.5)', '<< CONST isotropic >> norm Tstar / MPa', norm_Mp_dev*1.0e-6_pReal
|
||||
print'(/,a,/,f12.5)', '<< CONST isotropic >> gdot', dot_gamma
|
||||
end if
|
||||
#endif
|
||||
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
|
||||
|
@ -258,8 +256,8 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugConstitutive%extensive .and. (of == prm%of_debug .or. .not. debugConstitutive%selective)) then
|
||||
write(6,'(/,a,/,f12.5)') '<< CONST isotropic >> pressure / MPa', tr/3.0_pReal*1.0e-6_pReal
|
||||
write(6,'(/,a,/,f12.5)') '<< CONST isotropic >> gdot', prm%dot_gamma_0 * (3.0_pReal*prm%M*stt%xi(of))**(-prm%n) &
|
||||
print'(/,a,/,f12.5)', '<< CONST isotropic >> pressure / MPa', tr/3.0_pReal*1.0e-6_pReal
|
||||
print'(/,a,/,f12.5)', '<< CONST isotropic >> gdot', prm%dot_gamma_0 * (3.0_pReal*prm%M*stt%xi(of))**(-prm%n) &
|
||||
* tr * abs(tr)**(prm%n-1.0_pReal)
|
||||
end if
|
||||
#endif
|
||||
|
|
|
@ -79,12 +79,11 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- plastic_kinehardening init -+>>>'
|
||||
print'(/,a)', ' <<<+- plastic_kinehardening init -+>>>'
|
||||
|
||||
myPlasticity = plastic_active('kinehardening')
|
||||
|
||||
Ninstance = count(myPlasticity)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
allocate(param(Ninstance))
|
||||
|
@ -92,7 +91,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
allocate(dotState(Ninstance))
|
||||
allocate(deltaState(Ninstance))
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
i = 0
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
@ -346,8 +345,8 @@ module subroutine plastic_kinehardening_deltaState(Mp,instance,of)
|
|||
#ifdef DEBUG
|
||||
if (debugConstitutive%extensive &
|
||||
.and. (of == prm%of_debug .or. .not. debugConstitutive%selective)) then
|
||||
write(6,'(a)') '======= kinehardening delta state ======='
|
||||
write(6,*) sense,state(instance)%sense(:,of)
|
||||
print*, '======= kinehardening delta state ======='
|
||||
print*, sense,state(instance)%sense(:,of)
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
|
|
@ -9,7 +9,7 @@ submodule(constitutive:constitutive_plastic) plastic_none
|
|||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief module initialization
|
||||
!> @brief Perform module initialization.
|
||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module function plastic_none_init() result(myPlasticity)
|
||||
|
@ -24,9 +24,9 @@ module function plastic_none_init() result(myPlasticity)
|
|||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- plastic_none init -+>>>'
|
||||
print'(/,a)', ' <<<+- plastic_none init -+>>>'
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(myPlasticity(phases%length), source = .false.)
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
@ -35,7 +35,7 @@ module function plastic_none_init() result(myPlasticity)
|
|||
enddo
|
||||
|
||||
Ninstance = count(myPlasticity)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
do p = 1, phases%length
|
||||
|
|
|
@ -159,8 +159,9 @@ submodule(constitutive:constitutive_plastic) plastic_nonlocal
|
|||
|
||||
contains
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief module initialization
|
||||
!> @brief Perform module initialization.
|
||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module function plastic_nonlocal_init() result(myPlasticity)
|
||||
|
@ -184,23 +185,21 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- plastic_nonlocal init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Reuber et al., Acta Materialia 71:333–348, 2014'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2014.03.012'
|
||||
|
||||
write(6,'(/,a)') ' Kords, Dissertation RWTH Aachen, 2014'
|
||||
write(6,'(a)') ' http://publications.rwth-aachen.de/record/229993'
|
||||
print'(/,a)', ' <<<+- plastic_nonlocal init -+>>>'
|
||||
|
||||
myPlasticity = plastic_active('nonlocal')
|
||||
|
||||
Ninstance = count(myPlasticity)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) then
|
||||
call geometry_plastic_nonlocal_disable
|
||||
return
|
||||
endif
|
||||
|
||||
print*, 'Reuber et al., Acta Materialia 71:333–348, 2014'
|
||||
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
|
||||
|
||||
print*, 'Kords, Dissertation RWTH Aachen, 2014'
|
||||
print*, 'http://publications.rwth-aachen.de/record/229993'//IO_EOL
|
||||
|
||||
allocate(param(Ninstance))
|
||||
allocate(state(Ninstance))
|
||||
|
@ -209,7 +208,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
allocate(deltaState(Ninstance))
|
||||
allocate(microstructure(Ninstance))
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
i = 0
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
@ -1275,7 +1274,7 @@ function rhoDotFlux(F,Fp,timestep, instance,of,ip,el)
|
|||
.and. prm%CFLfactor * abs(v0) * timestep &
|
||||
> IPvolume(ip,el) / maxval(IParea(:,ip,el))), &
|
||||
' at a timestep of ',timestep
|
||||
write(6,'(a)') '<< CONST >> enforcing cutback !!!'
|
||||
print*, '<< CONST >> enforcing cutback !!!'
|
||||
endif
|
||||
#endif
|
||||
rhoDotFlux = IEEE_value(1.0_pReal,IEEE_quiet_NaN) ! enforce cutback
|
||||
|
|
|
@ -88,20 +88,18 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- plastic_phenopowerlaw init -+>>>'
|
||||
|
||||
print'(/,a)', ' <<<+- plastic_phenopowerlaw init -+>>>'
|
||||
|
||||
myPlasticity = plastic_active('phenopowerlaw')
|
||||
|
||||
Ninstance = count(myPlasticity)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
allocate(param(Ninstance))
|
||||
allocate(state(Ninstance))
|
||||
allocate(dotState(Ninstance))
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
i = 0
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
|
|
@ -10,6 +10,7 @@
|
|||
|
||||
module crystallite
|
||||
use prec
|
||||
use parallelization
|
||||
use IO
|
||||
use HDF5_utilities
|
||||
use DAMASK_interface
|
||||
|
@ -81,8 +82,6 @@ module crystallite
|
|||
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
|
||||
nState, & !< state loop limit
|
||||
nStress !< stress loop limit
|
||||
character(len=:), allocatable :: &
|
||||
integrator !< integration scheme
|
||||
real(pReal) :: &
|
||||
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
|
||||
subStepSizeCryst, & !< size of first substep when cutback
|
||||
|
@ -147,15 +146,15 @@ subroutine crystallite_init
|
|||
phase, &
|
||||
generic_param
|
||||
|
||||
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
|
||||
print'(/,a)', ' <<<+- crystallite init -+>>>'
|
||||
|
||||
debug_crystallite => debug_root%get('crystallite', defaultVal=emptyList)
|
||||
debug_crystallite => config_debug%get('crystallite', defaultVal=emptyList)
|
||||
debugCrystallite%basic = debug_crystallite%contains('basic')
|
||||
debugCrystallite%extensive = debug_crystallite%contains('extensive')
|
||||
debugCrystallite%selective = debug_crystallite%contains('selective')
|
||||
debugCrystallite%element = debug_root%get_asInt('element', defaultVal=1)
|
||||
debugCrystallite%ip = debug_root%get_asInt('integrationpoint', defaultVal=1)
|
||||
debugCrystallite%grain = debug_root%get_asInt('grain', defaultVal=1)
|
||||
debugCrystallite%element = config_debug%get_asInt('element', defaultVal=1)
|
||||
debugCrystallite%ip = config_debug%get_asInt('integrationpoint', defaultVal=1)
|
||||
debugCrystallite%grain = config_debug%get_asInt('grain', defaultVal=1)
|
||||
|
||||
cMax = homogenization_maxNgrains
|
||||
iMax = discretization_nIP
|
||||
|
@ -188,7 +187,7 @@ subroutine crystallite_init
|
|||
allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
|
||||
allocate(crystallite_converged(cMax,iMax,eMax), source=.true.)
|
||||
|
||||
num_crystallite => numerics_root%get('crystallite',defaultVal=emptyDict)
|
||||
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict)
|
||||
|
||||
num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal)
|
||||
num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal)
|
||||
|
@ -199,7 +198,6 @@ subroutine crystallite_init
|
|||
num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal)
|
||||
num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal)
|
||||
num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
|
||||
num%integrator = num_crystallite%get_asString('integrator', defaultVal='FPI')
|
||||
num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
|
||||
num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
|
||||
|
||||
|
@ -219,8 +217,7 @@ subroutine crystallite_init
|
|||
if(num%nState < 1) call IO_error(301,ext_msg='nState')
|
||||
if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
|
||||
|
||||
|
||||
select case(num%integrator)
|
||||
select case(num_crystallite%get_asString('integrator',defaultVal='FPI'))
|
||||
case('FPI')
|
||||
integrateState => integrateStateFPI
|
||||
case('Euler')
|
||||
|
@ -235,7 +232,7 @@ subroutine crystallite_init
|
|||
call IO_error(301,ext_msg='integrator')
|
||||
end select
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
|
||||
allocate(output_constituent(phases%length))
|
||||
do c = 1, phases%length
|
||||
|
@ -255,7 +252,7 @@ subroutine crystallite_init
|
|||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
myNcomponents = homogenization_Ngrains(material_homogenizationAt(e))
|
||||
do i = FEsolving_execIP(1), FEsolving_execIP(2); do c = 1, myNcomponents
|
||||
crystallite_Fp0(1:3,1:3,c,i,e) = material_orientation0(c,i,e)%asMatrix() ! plastic def gradient reflects init orientation
|
||||
crystallite_Fp0(1:3,1:3,c,i,e) = material_orientation0(c,i,e)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
|
||||
crystallite_Fp0(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e) &
|
||||
/ math_det33(crystallite_Fp0(1:3,1:3,c,i,e))**(1.0_pReal/3.0_pReal)
|
||||
crystallite_Fi0(1:3,1:3,c,i,e) = constitutive_initialFi(c,i,e)
|
||||
|
@ -294,9 +291,9 @@ subroutine crystallite_init
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugCrystallite%basic) then
|
||||
write(6,'(a42,1x,i10)') ' # of elements: ', eMax
|
||||
write(6,'(a42,1x,i10)') ' # of integration points/element: ', iMax
|
||||
write(6,'(a42,1x,i10)') 'max # of constituents/integration point: ', cMax
|
||||
print'(a42,1x,i10)', ' # of elements: ', eMax
|
||||
print'(a42,1x,i10)', ' # of integration points/element: ', iMax
|
||||
print'(a42,1x,i10)', 'max # of constituents/integration point: ', cMax
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
|
@ -327,24 +324,24 @@ function crystallite_stress()
|
|||
if (debugCrystallite%selective &
|
||||
.and. FEsolving_execElem(1) <= debugCrystallite%element &
|
||||
.and. debugCrystallite%element <= FEsolving_execElem(2)) then
|
||||
write(6,'(/,a,i8,1x,i2,1x,i3)') '<< CRYST stress >> boundary and initial values at el ip ipc ', &
|
||||
print'(/,a,i8,1x,i2,1x,i3)', '<< CRYST stress >> boundary and initial values at el ip ipc ', &
|
||||
debugCrystallite%element,debugCrystallite%ip, debugCrystallite%grain
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> F ', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', '<< CRYST stress >> F ', &
|
||||
transpose(crystallite_partionedF(1:3,1:3,debugCrystallite%grain, &
|
||||
debugCrystallite%ip,debugCrystallite%element))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> F0 ', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', '<< CRYST stress >> F0 ', &
|
||||
transpose(crystallite_partionedF0(1:3,1:3,debugCrystallite%grain, &
|
||||
debugCrystallite%ip,debugCrystallite%element))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> Fp0', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', '<< CRYST stress >> Fp0', &
|
||||
transpose(crystallite_partionedFp0(1:3,1:3,debugCrystallite%grain, &
|
||||
debugCrystallite%ip,debugCrystallite%element))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> Fi0', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', '<< CRYST stress >> Fi0', &
|
||||
transpose(crystallite_partionedFi0(1:3,1:3,debugCrystallite%grain, &
|
||||
debugCrystallite%ip,debugCrystallite%element))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> Lp0', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', '<< CRYST stress >> Lp0', &
|
||||
transpose(crystallite_partionedLp0(1:3,1:3,debugCrystallite%grain, &
|
||||
debugCrystallite%ip,debugCrystallite%element))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST stress >> Li0', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', '<< CRYST stress >> Li0', &
|
||||
transpose(crystallite_partionedLi0(1:3,1:3,debugCrystallite%grain, &
|
||||
debugCrystallite%ip,debugCrystallite%element))
|
||||
endif
|
||||
|
@ -393,7 +390,7 @@ function crystallite_stress()
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugCrystallite%extensive) &
|
||||
write(6,'(a,i6)') '<< CRYST stress >> crystallite iteration ',NiterationCrystallite
|
||||
print'(a,i6)', '<< CRYST stress >> crystallite iteration ',NiterationCrystallite
|
||||
#endif
|
||||
!$OMP PARALLEL DO PRIVATE(formerSubStep)
|
||||
elementLooping3: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
|
@ -575,7 +572,7 @@ subroutine crystallite_stressTangent
|
|||
lhs_3333 = crystallite_subdt(c,i,e)*math_mul3333xx3333(dSdFe,temp_3333) &
|
||||
+ math_mul3333xx3333(dSdFi,dFidS)
|
||||
|
||||
call math_invert(temp_99,error,math_identity2nd(9)+math_3333to99(lhs_3333))
|
||||
call math_invert(temp_99,error,math_eye(9)+math_3333to99(lhs_3333))
|
||||
if (error) then
|
||||
call IO_warning(warning_ID=600,el=e,ip=i,g=c, &
|
||||
ext_msg='inversion error in analytic tangent calculation')
|
||||
|
@ -946,7 +943,7 @@ function integrateStress(ipc,ip,el,timeFraction) result(broken)
|
|||
do o=1,3; do p=1,3
|
||||
dFe_dLp(o,1:3,p,1:3) = - dt * A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
|
||||
enddo; enddo
|
||||
dRLp_dLp = math_identity2nd(9) &
|
||||
dRLp_dLp = math_eye(9) &
|
||||
- math_3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dS,dS_dFe),dFe_dLp))
|
||||
temp_9 = math_33to9(residuumLp)
|
||||
call dgesv(9,1,dRLp_dLp,9,devNull_9,temp_9,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
||||
|
@ -991,7 +988,7 @@ function integrateStress(ipc,ip,el,timeFraction) result(broken)
|
|||
do o=1,3; do p=1,3
|
||||
dFi_dLi(1:3,1:3,o,p) = matmul(matmul(Fi_new,dFi_dLi(1:3,1:3,o,p)),Fi_new)
|
||||
enddo; enddo
|
||||
dRLi_dLi = math_identity2nd(9) &
|
||||
dRLi_dLi = math_eye(9) &
|
||||
- math_3333to99(math_mul3333xx3333(dLi_dS, math_mul3333xx3333(dS_dFe, dFe_dLi) &
|
||||
+ math_mul3333xx3333(dS_dFi, dFi_dLi))) &
|
||||
- math_3333to99(math_mul3333xx3333(dLi_dFi, dFi_dLi))
|
||||
|
@ -1564,7 +1561,7 @@ subroutine crystallite_restartWrite
|
|||
integer(HID_T) :: fileHandle, groupHandle
|
||||
character(len=pStringLen) :: fileName, datasetName
|
||||
|
||||
write(6,'(a)') ' writing field and constitutive data required for restart to file';flush(6)
|
||||
print*, ' writing field and constitutive data required for restart to file';flush(6)
|
||||
|
||||
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName,'a')
|
||||
|
@ -1605,7 +1602,7 @@ subroutine crystallite_restartRead
|
|||
integer(HID_T) :: fileHandle, groupHandle
|
||||
character(len=pStringLen) :: fileName, datasetName
|
||||
|
||||
write(6,'(/,a,i0,a)') ' reading restart information of increment from file'
|
||||
print'(/,a,i0,a)', ' reading restart information of increment from file'
|
||||
|
||||
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
|
||||
fileHandle = HDF5_openFile(fileName)
|
||||
|
|
|
@ -49,18 +49,18 @@ subroutine damage_local_init
|
|||
homog, &
|
||||
homogDamage
|
||||
|
||||
write(6,'(/,a)') ' <<<+- damage_local init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- damage_local init -+>>>'; flush(6)
|
||||
|
||||
!----------------------------------------------------------------------------------------------
|
||||
! read numerics parameter and do sanity check
|
||||
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
|
||||
num_generic => config_numerics%get('generic',defaultVal=emptyDict)
|
||||
num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal)
|
||||
if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
|
||||
|
||||
Ninstance = count(damage_type == DAMAGE_local_ID)
|
||||
allocate(param(Ninstance))
|
||||
|
||||
material_homogenization => material_root%get('homogenization')
|
||||
material_homogenization => config_material%get('homogenization')
|
||||
do h = 1, material_homogenization%length
|
||||
if (damage_type(h) /= DAMAGE_LOCAL_ID) cycle
|
||||
homog => material_homogenization%get(h)
|
||||
|
|
|
@ -18,7 +18,7 @@ subroutine damage_none_init
|
|||
|
||||
integer :: h,NofMyHomog
|
||||
|
||||
write(6,'(/,a)') ' <<<+- damage_none init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- damage_none init -+>>>'; flush(6)
|
||||
|
||||
do h = 1, material_Nhomogenization
|
||||
if (damage_type(h) /= DAMAGE_NONE_ID) cycle
|
||||
|
|
|
@ -53,17 +53,17 @@ subroutine damage_nonlocal_init
|
|||
homog, &
|
||||
homogDamage
|
||||
|
||||
write(6,'(/,a)') ' <<<+- damage_nonlocal init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- damage_nonlocal init -+>>>'; flush(6)
|
||||
|
||||
!------------------------------------------------------------------------------------
|
||||
! read numerics parameter
|
||||
num_generic => numerics_root%get('generic',defaultVal= emptyDict)
|
||||
num_generic => config_numerics%get('generic',defaultVal= emptyDict)
|
||||
num%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
|
||||
|
||||
Ninstance = count(damage_type == DAMAGE_nonlocal_ID)
|
||||
allocate(param(Ninstance))
|
||||
|
||||
material_homogenization => material_root%get('homogenization')
|
||||
material_homogenization => config_material%get('homogenization')
|
||||
do h = 1, material_homogenization%length
|
||||
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
|
||||
homog => material_homogenization%get(h)
|
||||
|
|
|
@ -49,7 +49,7 @@ subroutine discretization_init(microstructureAt,&
|
|||
integer, optional, intent(in) :: &
|
||||
sharedNodesBegin !< index of first node shared among different processes (MPI)
|
||||
|
||||
write(6,'(/,a)') ' <<<+- discretization init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- discretization init -+>>>'; flush(6)
|
||||
|
||||
discretization_nElem = size(microstructureAt,1)
|
||||
discretization_nIP = size(IPcoords0,2)/discretization_nElem
|
||||
|
|
|
@ -922,16 +922,16 @@ subroutine tElement_init(self,elemType)
|
|||
|
||||
self%nIPneighbors = size(self%IPneighbor,1)
|
||||
|
||||
write(6,'(/,a)') ' <<<+- element_init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- element_init -+>>>'; flush(6)
|
||||
|
||||
write(6,*) ' element type: ',self%elemType
|
||||
write(6,*) ' geom type: ',self%geomType
|
||||
write(6,*) ' cell type: ',self%cellType
|
||||
write(6,*) ' # node: ',self%Nnodes
|
||||
write(6,*) ' # IP: ',self%nIPs
|
||||
write(6,*) ' # cellnode: ',self%Ncellnodes
|
||||
write(6,*) ' # cellnode/cell: ',self%NcellnodesPerCell
|
||||
write(6,*) ' # IP neighbor: ',self%nIPneighbors
|
||||
print*, 'element type: ',self%elemType
|
||||
print*, ' geom type: ',self%geomType
|
||||
print*, ' cell type: ',self%cellType
|
||||
print*, ' # node: ',self%Nnodes
|
||||
print*, ' # IP: ',self%nIPs
|
||||
print*, ' # cellnode: ',self%Ncellnodes
|
||||
print*, ' # cellnode/cell: ',self%NcellnodesPerCell
|
||||
print*, ' # IP neighbor: ',self%nIPneighbors
|
||||
|
||||
end subroutine tElement_init
|
||||
|
||||
|
|
|
@ -10,6 +10,7 @@ program DAMASK_grid
|
|||
#include <petsc/finclude/petscsys.h>
|
||||
use PETScsys
|
||||
use prec
|
||||
use parallelization
|
||||
use DAMASK_interface
|
||||
use IO
|
||||
use config
|
||||
|
@ -113,7 +114,7 @@ program DAMASK_grid
|
|||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! reading field paramters from numerics file and do sanity checks
|
||||
num_grid => numerics_root%get('grid', defaultVal=emptyDict)
|
||||
num_grid => config_numerics%get('grid', defaultVal=emptyDict)
|
||||
stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
|
||||
maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
|
||||
|
||||
|
@ -123,7 +124,7 @@ program DAMASK_grid
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! assign mechanics solver depending on selected type
|
||||
|
||||
debug_grid => debug_root%get('grid',defaultVal=emptyList)
|
||||
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||||
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
|
||||
case ('Basic')
|
||||
mech_init => grid_mech_spectral_basic_init
|
||||
|
@ -158,7 +159,7 @@ program DAMASK_grid
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reading information from load case file and to sanity checks
|
||||
fileContent = IO_readlines(trim(loadCaseFile))
|
||||
fileContent = IO_readlines(trim(interface_loadFile))
|
||||
if(size(fileContent) == 0) call IO_error(307,ext_msg='No load case specified')
|
||||
|
||||
allocate (loadCases(0)) ! array of load cases
|
||||
|
@ -178,7 +179,7 @@ program DAMASK_grid
|
|||
end select
|
||||
enddo
|
||||
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check
|
||||
call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
|
||||
call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(interface_loadFile)) ! error message for incomplete loadcase
|
||||
|
||||
newLoadCase%stress%myType='stress'
|
||||
field = 1
|
||||
|
|
|
@ -9,6 +9,7 @@ module discretization_grid
|
|||
use PETScsys
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use system_routines
|
||||
use base64
|
||||
use zlib
|
||||
|
@ -66,12 +67,16 @@ subroutine discretization_grid_init(restart)
|
|||
|
||||
write(6,'(/,a)') ' <<<+- discretization_grid init -+>>>'; flush(6)
|
||||
|
||||
if(index(geometryFile,'.vtr') /= 0) then
|
||||
if(index(interface_geomFile,'.vtr') /= 0) then
|
||||
call readVTR(grid,geomSize,origin,microstructureAt)
|
||||
else
|
||||
call readGeom(grid,geomSize,origin,microstructureAt)
|
||||
endif
|
||||
|
||||
print'(/,a,3(i12 ))', ' grid a b c: ', grid
|
||||
print'(a,3(es12.5))', ' size x y z: ', geomSize
|
||||
print'(a,3(es12.5))', ' origin x y z: ', origin
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! grid solver specific quantities
|
||||
if(worldsize>grid(3)) call IO_error(894, ext_msg='number of processes exceeds grid(3)')
|
||||
|
@ -92,8 +97,8 @@ subroutine discretization_grid_init(restart)
|
|||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! debug parameters
|
||||
debug_element = debug_root%get_asInt('element',defaultVal=1)
|
||||
debug_ip = debug_root%get_asInt('integrationpoint',defaultVal=1)
|
||||
debug_element = config_debug%get_asInt('element',defaultVal=1)
|
||||
debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! general discretization
|
||||
|
@ -172,10 +177,10 @@ subroutine readGeom(grid,geomSize,origin,microstructure)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! read raw data as stream
|
||||
inquire(file = trim(geometryFile), size=fileLength)
|
||||
open(newunit=fileUnit, file=trim(geometryFile), access='stream',&
|
||||
inquire(file = trim(interface_geomFile), size=fileLength)
|
||||
open(newunit=fileUnit, file=trim(interface_geomFile), access='stream',&
|
||||
status='old', position='rewind', action='read',iostat=myStat)
|
||||
if(myStat /= 0) call IO_error(100,ext_msg=trim(geometryFile))
|
||||
if(myStat /= 0) call IO_error(100,ext_msg=trim(interface_geomFile))
|
||||
allocate(character(len=fileLength)::rawData)
|
||||
read(fileUnit) rawData
|
||||
close(fileUnit)
|
||||
|
@ -326,10 +331,10 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! read raw data as stream
|
||||
inquire(file = trim(geometryFile), size=fileLength)
|
||||
open(newunit=fileUnit, file=trim(geometryFile), access='stream',&
|
||||
inquire(file = trim(interface_geomFile), size=fileLength)
|
||||
open(newunit=fileUnit, file=trim(interface_geomFile), access='stream',&
|
||||
status='old', position='rewind', action='read',iostat=myStat)
|
||||
if(myStat /= 0) call IO_error(100,ext_msg=trim(geometryFile))
|
||||
if(myStat /= 0) call IO_error(100,ext_msg=trim(interface_geomFile))
|
||||
allocate(character(len=fileLength)::fileContent)
|
||||
read(fileUnit) fileContent
|
||||
close(fileUnit)
|
||||
|
@ -433,7 +438,7 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
|||
coords = as_pReal(base64_str,headerType,compressed,dataType)
|
||||
|
||||
delta = coords(2:) - coords(:size(coords)-1)
|
||||
if(any(delta<0.0_pReal) .or. dNeq(maxval(delta),minval(delta))) &
|
||||
if(any(delta<0.0_pReal) .or. dNeq(maxval(delta),minval(delta),1.0e-8_pReal*maxval(abs(coords)))) &
|
||||
call IO_error(error_ID = 844, ext_msg = 'grid spacing')
|
||||
|
||||
grid(direction) = size(coords)-1
|
||||
|
@ -457,13 +462,13 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
|||
|
||||
select case(dataType)
|
||||
case('Int32')
|
||||
as_Int = int(bytes_to_C_INT32_T(asBytes(base64_str,headerType,compressed)))
|
||||
as_Int = int(prec_bytesToC_INT32_T(asBytes(base64_str,headerType,compressed)))
|
||||
case('Int64')
|
||||
as_Int = int(bytes_to_C_INT64_T(asBytes(base64_str,headerType,compressed)))
|
||||
as_Int = int(prec_bytesToC_INT64_T(asBytes(base64_str,headerType,compressed)))
|
||||
case('Float32')
|
||||
as_Int = int(bytes_to_C_FLOAT (asBytes(base64_str,headerType,compressed)))
|
||||
as_Int = int(prec_bytesToC_FLOAT (asBytes(base64_str,headerType,compressed)))
|
||||
case('Float64')
|
||||
as_Int = int(bytes_to_C_DOUBLE (asBytes(base64_str,headerType,compressed)))
|
||||
as_Int = int(prec_bytesToC_DOUBLE (asBytes(base64_str,headerType,compressed)))
|
||||
case default
|
||||
call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType))
|
||||
end select
|
||||
|
@ -485,13 +490,13 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
|||
|
||||
select case(dataType)
|
||||
case('Int32')
|
||||
as_pReal = real(bytes_to_C_INT32_T(asBytes(base64_str,headerType,compressed)),pReal)
|
||||
as_pReal = real(prec_bytesToC_INT32_T(asBytes(base64_str,headerType,compressed)),pReal)
|
||||
case('Int64')
|
||||
as_pReal = real(bytes_to_C_INT64_T(asBytes(base64_str,headerType,compressed)),pReal)
|
||||
as_pReal = real(prec_bytesToC_INT64_T(asBytes(base64_str,headerType,compressed)),pReal)
|
||||
case('Float32')
|
||||
as_pReal = real(bytes_to_C_FLOAT (asBytes(base64_str,headerType,compressed)),pReal)
|
||||
as_pReal = real(prec_bytesToC_FLOAT (asBytes(base64_str,headerType,compressed)),pReal)
|
||||
case('Float64')
|
||||
as_pReal = real(bytes_to_C_DOUBLE (asBytes(base64_str,headerType,compressed)),pReal)
|
||||
as_pReal = real(prec_bytesToC_DOUBLE (asBytes(base64_str,headerType,compressed)),pReal)
|
||||
case default
|
||||
call IO_error(844_pInt,ext_msg='unknown data type: '//trim(dataType))
|
||||
end select
|
||||
|
@ -538,15 +543,15 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
|||
integer(pI64) :: headerLen, nBlock, b,s,e
|
||||
|
||||
if (headerType == 'UInt32') then
|
||||
temp = int(bytes_to_C_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64)
|
||||
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64)
|
||||
nBlock = int(temp(1),pI64)
|
||||
headerLen = 4_pI64 * (3_pI64 + nBlock)
|
||||
temp = int(bytes_to_C_INT32_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
||||
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
||||
elseif(headerType == 'UInt64') then
|
||||
temp = int(bytes_to_C_INT64_T(base64_to_bytes(base64_str(:base64_nChar(8_pI64)))),pI64)
|
||||
temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(8_pI64)))),pI64)
|
||||
nBlock = int(temp(1),pI64)
|
||||
headerLen = 8_pI64 * (3_pI64 + nBlock)
|
||||
temp = int(bytes_to_C_INT64_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
||||
temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
|
||||
endif
|
||||
|
||||
allocate(size_inflated(nBlock),source=temp(2))
|
||||
|
@ -584,13 +589,13 @@ subroutine readVTR(grid,geomSize,origin,microstructure)
|
|||
s=0_pI64
|
||||
if (headerType == 'UInt32') then
|
||||
do while(s+base64_nChar(4_pI64)<(len(base64_str,pI64)))
|
||||
nByte = int(bytes_to_C_INT32_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64)))),pI64)
|
||||
nByte = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64)))),pI64)
|
||||
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64+nByte(1))),5_pI64)]
|
||||
s = s + base64_nChar(4_pI64+nByte(1))
|
||||
enddo
|
||||
elseif(headerType == 'UInt64') then
|
||||
do while(s+base64_nChar(8_pI64)<(len(base64_str,pI64)))
|
||||
nByte = int(bytes_to_C_INT64_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64)))),pI64)
|
||||
nByte = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64)))),pI64)
|
||||
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64+nByte(1))),9_pI64)]
|
||||
s = s + base64_nChar(8_pI64+nByte(1))
|
||||
enddo
|
||||
|
|
|
@ -11,12 +11,13 @@ module grid_damage_spectral
|
|||
use PETScsnes
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use IO
|
||||
use spectral_utilities
|
||||
use discretization_grid
|
||||
use damage_nonlocal
|
||||
use config
|
||||
use YAML_types
|
||||
use config
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
@ -83,12 +84,12 @@ subroutine grid_damage_spectral_init
|
|||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! read numerical parameters and do sanity checks
|
||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
||||
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
|
||||
num%eps_damage_atol = num_grid%get_asFloat ('eps_damage_atol',defaultVal=1.0e-2_pReal)
|
||||
num%eps_damage_rtol = num_grid%get_asFloat ('eps_damage_rtol',defaultVal=1.0e-6_pReal)
|
||||
|
||||
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
|
||||
num_generic => config_numerics%get('generic',defaultVal=emptyDict)
|
||||
num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal)
|
||||
|
||||
if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
|
||||
|
|
|
@ -11,6 +11,7 @@ module grid_mech_FEM
|
|||
use PETScsnes
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use DAMASK_interface
|
||||
use HDF5_utilities
|
||||
use math
|
||||
|
@ -125,12 +126,12 @@ subroutine grid_mech_FEM_init
|
|||
|
||||
!-----------------------------------------------------------------------------------------------
|
||||
! debugging options
|
||||
debug_grid => debug_root%get('grid', defaultVal=emptyList)
|
||||
debug_grid => config_debug%get('grid', defaultVal=emptyList)
|
||||
debugRotation = debug_grid%contains('rotation')
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! read numerical parameter and do sanity checks
|
||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
||||
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
|
||||
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol', defaultVal=1.0e3_pReal)
|
||||
|
|
|
@ -11,6 +11,7 @@ module grid_mech_spectral_basic
|
|||
use PETScsnes
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use DAMASK_interface
|
||||
use HDF5_utilities
|
||||
use math
|
||||
|
@ -119,12 +120,12 @@ subroutine grid_mech_spectral_basic_init
|
|||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! debugging options
|
||||
debug_grid => debug_root%get('grid', defaultVal=emptyList)
|
||||
debug_grid => config_debug%get('grid', defaultVal=emptyList)
|
||||
debugRotation = debug_grid%contains('rotation')
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! read numerical parameters and do sanity checks
|
||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
||||
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||
|
||||
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
|
||||
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||
|
|
|
@ -11,6 +11,7 @@ module grid_mech_spectral_polarisation
|
|||
use PETScsnes
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use DAMASK_interface
|
||||
use HDF5_utilities
|
||||
use math
|
||||
|
@ -129,12 +130,12 @@ subroutine grid_mech_spectral_polarisation_init
|
|||
|
||||
!------------------------------------------------------------------------------------------------
|
||||
! debugging options
|
||||
debug_grid => debug_root%get('grid',defaultVal=emptyList)
|
||||
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||||
debugRotation = debug_grid%contains('rotation')
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! read numerical parameters
|
||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
||||
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||
|
||||
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
|
||||
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
|
||||
|
|
|
@ -11,6 +11,7 @@ module grid_thermal_spectral
|
|||
use PETScsnes
|
||||
|
||||
use prec
|
||||
use parallelization
|
||||
use IO
|
||||
use spectral_utilities
|
||||
use discretization_grid
|
||||
|
@ -80,7 +81,7 @@ subroutine grid_thermal_spectral_init
|
|||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! read numerical parameter and do sanity checks
|
||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
||||
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
|
||||
num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
|
||||
num%eps_thermal_rtol = num_grid%get_asFloat ('eps_thermal_rtol',defaultVal=1.0e-6_pReal)
|
||||
|
|
|
@ -10,11 +10,11 @@ module spectral_utilities
|
|||
|
||||
use prec
|
||||
use DAMASK_interface
|
||||
use parallelization
|
||||
use math
|
||||
use rotations
|
||||
use IO
|
||||
use discretization_grid
|
||||
use config
|
||||
use discretization
|
||||
use homogenization
|
||||
|
||||
|
@ -109,15 +109,10 @@ module spectral_utilities
|
|||
end type tSolutionParams
|
||||
|
||||
type, private :: tNumerics
|
||||
real(pReal) :: &
|
||||
FFTW_timelimit !< timelimit for FFTW plan creation, see www.fftw.org
|
||||
integer :: &
|
||||
divergence_correction !< scale divergence/curl calculation: [0: no correction, 1: size scaled to 1, 2: size scaled to Npoints]
|
||||
logical :: &
|
||||
memory_efficient !< calculate gamma operator on the fly
|
||||
character(len=:), allocatable :: &
|
||||
spectral_derivative, & !< approximation used for derivatives in Fourier space
|
||||
FFTW_plan_mode !< FFTW plan mode, see www.fftw.org
|
||||
end type tNumerics
|
||||
|
||||
type(tNumerics), private :: num ! numerics parameters. Better name?
|
||||
|
@ -191,23 +186,23 @@ subroutine spectral_utilities_init
|
|||
num_grid, &
|
||||
debug_grid ! pointer to grid debug options
|
||||
|
||||
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
||||
print'(/,a)', ' <<<+- spectral_utilities init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Diehl, Diploma Thesis TU München, 2010'
|
||||
write(6,'(a)') ' https://doi.org/10.13140/2.1.3234.3840'
|
||||
print*, 'Diehl, Diploma Thesis TU München, 2010'
|
||||
print*, 'https://doi.org/10.13140/2.1.3234.3840'//IO_EOL
|
||||
|
||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||
print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'//IO_EOL
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set debugging parameters
|
||||
debug_grid => debug_root%get('grid',defaultVal=emptyList)
|
||||
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||||
debugGeneral = debug_grid%contains('basic')
|
||||
debugRotation = debug_grid%contains('rotation')
|
||||
debugPETSc = debug_grid%contains('petsc')
|
||||
|
@ -218,7 +213,7 @@ subroutine spectral_utilities_init
|
|||
trim(PETScDebug), &
|
||||
' add more using the PETSc_Options keyword in numerics.yaml '; flush(6)
|
||||
|
||||
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
|
||||
num_grid => config_numerics%get('grid',defaultVal=emptyDict)
|
||||
|
||||
call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
@ -231,19 +226,13 @@ subroutine spectral_utilities_init
|
|||
grid1Red = grid(1)/2 + 1
|
||||
wgt = 1.0/real(product(grid),pReal)
|
||||
|
||||
write(6,'(/,a,3(i12 ))') ' grid a b c: ', grid
|
||||
write(6,'(a,3(es12.5))') ' size x y z: ', geomSize
|
||||
|
||||
num%memory_efficient = num_grid%get_asInt ('memory_efficient', defaultVal=1) > 0
|
||||
num%FFTW_timelimit = num_grid%get_asFloat ('fftw_timelimit', defaultVal=-1.0_pReal)
|
||||
num%memory_efficient = num_grid%get_asInt('memory_efficient', defaultVal=1) > 0 ! ToDo: should be logical in YAML file
|
||||
num%divergence_correction = num_grid%get_asInt('divergence_correction', defaultVal=2)
|
||||
num%spectral_derivative = num_grid%get_asString('derivative', defaultVal='continuous')
|
||||
num%FFTW_plan_mode = num_grid%get_asString('fftw_plan_mode', defaultVal='FFTW_MEASURE')
|
||||
|
||||
if (num%divergence_correction < 0 .or. num%divergence_correction > 2) &
|
||||
call IO_error(301,ext_msg='divergence_correction')
|
||||
|
||||
select case (num%spectral_derivative)
|
||||
select case (num_grid%get_asString('derivative',defaultVal='continuous'))
|
||||
case ('continuous')
|
||||
spectral_derivative_ID = DERIVATIVE_CONTINUOUS_ID
|
||||
case ('central_difference')
|
||||
|
@ -251,7 +240,7 @@ subroutine spectral_utilities_init
|
|||
case ('FWBW_difference')
|
||||
spectral_derivative_ID = DERIVATIVE_FWBW_DIFF_ID
|
||||
case default
|
||||
call IO_error(892,ext_msg=trim(num%spectral_derivative))
|
||||
call IO_error(892,ext_msg=trim(num_grid%get_asString('derivative')))
|
||||
end select
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -272,8 +261,7 @@ subroutine spectral_utilities_init
|
|||
scaledGeomSize = geomSize
|
||||
endif
|
||||
|
||||
|
||||
select case(IO_lc(num%FFTW_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
|
||||
select case(IO_lc(num_grid%get_asString('fftw_plan_mode',defaultVal='FFTW_MEASURE')))
|
||||
case('fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
|
||||
FFTW_planner_flag = FFTW_ESTIMATE
|
||||
case('fftw_measure')
|
||||
|
@ -283,14 +271,14 @@ subroutine spectral_utilities_init
|
|||
case('fftw_exhaustive')
|
||||
FFTW_planner_flag = FFTW_EXHAUSTIVE
|
||||
case default
|
||||
call IO_warning(warning_ID=47,ext_msg=trim(IO_lc(num%FFTW_plan_mode)))
|
||||
call IO_warning(warning_ID=47,ext_msg=trim(IO_lc(num_grid%get_asString('fftw_plan_mode'))))
|
||||
FFTW_planner_flag = FFTW_MEASURE
|
||||
end select
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! general initialization of FFTW (see manual on fftw.org for more details)
|
||||
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) call IO_error(0,ext_msg='Fortran to C') ! check for correct precision in C
|
||||
call fftw_set_timelimit(num%FFTW_timelimit) ! set timelimit for plan creation
|
||||
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
|
||||
call fftw_set_timelimit(num_grid%get_asFloat('fftw_timelimit',defaultVal=-1.0_pReal))
|
||||
|
||||
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6)
|
||||
|
||||
|
@ -731,7 +719,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! check if inversion was successful
|
||||
sTimesC = matmul(c_reduced,s_reduced)
|
||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_identity2nd(size_reduced),1.0e-12_pReal))
|
||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_eye(size_reduced),1.0e-12_pReal))
|
||||
if (debugGeneral .or. errmatinv) then
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
|
@ -1104,11 +1092,13 @@ end subroutine utilities_updateCoords
|
|||
subroutine utilities_saveReferenceStiffness
|
||||
|
||||
integer :: &
|
||||
fileUnit
|
||||
fileUnit,ierr
|
||||
|
||||
if (worldrank == 0) then
|
||||
write(6,'(a)') ' writing reference stiffness data required for restart to file'; flush(6)
|
||||
fileUnit = IO_open_binary(trim(getSolverJobName())//'.C_ref','w')
|
||||
open(newunit=fileUnit, file=getSolverJobName()//'.C_ref',&
|
||||
status='replace',access='stream',action='write',iostat=ierr)
|
||||
if(ierr /=0) call IO_error(100,ext_msg='could not open file '//getSolverJobName()//'.C_ref')
|
||||
write(fileUnit) C_ref
|
||||
close(fileUnit)
|
||||
endif
|
||||
|
|
|
@ -149,20 +149,20 @@ subroutine homogenization_init
|
|||
num_homogGeneric, &
|
||||
debug_homogenization
|
||||
|
||||
debug_homogenization => debug_root%get('homogenization', defaultVal=emptyList)
|
||||
debug_homogenization => config_debug%get('homogenization', defaultVal=emptyList)
|
||||
debugHomog%basic = debug_homogenization%contains('basic')
|
||||
debugHomog%extensive = debug_homogenization%contains('extensive')
|
||||
debugHomog%selective = debug_homogenization%contains('selective')
|
||||
debugHomog%element = debug_root%get_asInt('element',defaultVal = 1)
|
||||
debugHomog%ip = debug_root%get_asInt('integrationpoint',defaultVal = 1)
|
||||
debugHomog%grain = debug_root%get_asInt('grain',defaultVal = 1)
|
||||
debugHomog%element = config_debug%get_asInt('element',defaultVal = 1)
|
||||
debugHomog%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
|
||||
debugHomog%grain = config_debug%get_asInt('grain',defaultVal = 1)
|
||||
|
||||
if (debugHomog%grain < 1 &
|
||||
.or. debugHomog%grain > homogenization_Ngrains(material_homogenizationAt(debugHomog%element))) &
|
||||
call IO_error(602,ext_msg='constituent', el=debugHomog%element, g=debugHomog%grain)
|
||||
|
||||
|
||||
num_homog => numerics_root%get('homogenization',defaultVal=emptyDict)
|
||||
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
|
||||
num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
|
||||
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
|
||||
|
||||
|
@ -186,7 +186,7 @@ subroutine homogenization_init
|
|||
materialpoint_F = materialpoint_F0 ! initialize to identity
|
||||
allocate(materialpoint_P(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
|
||||
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(6)
|
||||
|
||||
num%nMPstate = num_homogGeneric%get_asInt ('nMPstate', defaultVal=10)
|
||||
num%subStepMinHomog = num_homogGeneric%get_asFloat('subStepMin', defaultVal=1.0e-3_pReal)
|
||||
|
@ -228,11 +228,11 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
#ifdef DEBUG
|
||||
|
||||
if (debugHomog%basic) then
|
||||
write(6,'(/a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debugHomog%element, debugHomog%ip
|
||||
print'(/a,i5,1x,i2)', ' << HOMOG >> Material Point start at el ip ', debugHomog%element, debugHomog%ip
|
||||
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F0', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', ' << HOMOG >> F0', &
|
||||
transpose(materialpoint_F0(1:3,1:3,debugHomog%ip,debugHomog%element))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F', &
|
||||
print'(a,/,3(12x,3(f14.9,1x)/))', ' << HOMOG >> F', &
|
||||
transpose(materialpoint_F(1:3,1:3,debugHomog%ip,debugHomog%element))
|
||||
endif
|
||||
#endif
|
||||
|
@ -292,10 +292,9 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
|
||||
if (converged(i,e)) then
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive &
|
||||
.and. ((e == debugHomog%element .and. i == debugHomog%ip) &
|
||||
if (debugHomog%extensive .and. ((e == debugHomog%element .and. i == debugHomog%ip) &
|
||||
.or. .not. debugHomog%selective)) then
|
||||
write(6,'(a,1x,f12.8,1x,a,1x,f12.8,1x,a,i8,1x,i2/)') '<< HOMOG >> winding forward from', &
|
||||
print'(a,f12.8,a,f12.8,a,i8,1x,i2/)', ' << HOMOG >> winding forward from ', &
|
||||
subFrac(i,e), ' to current subFrac ', &
|
||||
subFrac(i,e)+subStep(i,e),' in materialpoint_stressAndItsTangent at el ip ',e,i
|
||||
endif
|
||||
|
@ -342,19 +341,16 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
num%subStepSizeHomog * subStep(i,e) <= num%subStepMinHomog ) then ! would require too small subStep
|
||||
! cutback makes no sense
|
||||
if (.not. terminallyIll) then ! so first signals terminally ill...
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*) 'Integration point ', i,' at element ', e, ' terminally ill'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
print*, ' Integration point ', i,' at element ', e, ' terminally ill'
|
||||
endif
|
||||
terminallyIll = .true. ! ...and kills all others
|
||||
else ! cutback makes sense
|
||||
subStep(i,e) = num%subStepSizeHomog * subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
|
||||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive &
|
||||
.and. ((e == debugHomog%element .and. i == debugHomog%ip) &
|
||||
if (debugHomog%extensive .and. ((e == debugHomog%element .and. i == debugHomog%ip) &
|
||||
.or. .not. debugHomog%selective)) then
|
||||
write(6,'(a,1x,f12.8,a,i8,1x,i2/)') &
|
||||
print'(a,f12.8,a,i8,1x,i2/)', &
|
||||
'<< HOMOG >> cutback step in materialpoint_stressAndItsTangent with new subStep: ',&
|
||||
subStep(i,e),' at el ip',e,i
|
||||
endif
|
||||
|
@ -469,7 +465,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
enddo elementLooping4
|
||||
!$OMP END PARALLEL DO
|
||||
else
|
||||
write(6,'(/,a,/)') '<< HOMOG >> Material Point terminally ill'
|
||||
print'(/,a,/)', ' << HOMOG >> Material Point terminally ill'
|
||||
endif
|
||||
|
||||
end subroutine materialpoint_stressAndItsTangent
|
||||
|
|
|
@ -92,16 +92,18 @@ module subroutine mech_RGC_init(num_homogMech)
|
|||
homog, &
|
||||
homogMech
|
||||
|
||||
write(6,'(/,a)') ' <<<+- homogenization_mech_rgc init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
|
||||
write(6,'(a)') ' https://doi.org/10.1007/s12289-009-0619-1'
|
||||
|
||||
write(6,'(/,a)') ' Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering 18:015006, 2010'
|
||||
write(6,'(a)') ' https://doi.org/10.1088/0965-0393/18/1/015006'
|
||||
print'(/,a)', ' <<<+- homogenization_mech_rgc init -+>>>'
|
||||
|
||||
Ninstance = count(homogenization_type == HOMOGENIZATION_RGC_ID)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
|
||||
print*, 'Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
|
||||
print*, 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL
|
||||
|
||||
print*, 'Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering 18:015006, 2010'
|
||||
print*, 'https://doi.org/10.1088/0965-0393/18/1/015006'//IO_EOL
|
||||
|
||||
|
||||
|
||||
allocate(param(Ninstance))
|
||||
allocate(state(Ninstance))
|
||||
|
@ -139,7 +141,7 @@ module subroutine mech_RGC_init(num_homogMech)
|
|||
if (num%volDiscrPow <= 0.0_pReal) call IO_error(301,ext_msg='volDiscrPw_RGC')
|
||||
|
||||
|
||||
material_homogenization => material_root%get('homogenization')
|
||||
material_homogenization => config_material%get('homogenization')
|
||||
do h = 1, size(homogenization_type)
|
||||
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
|
||||
homog => material_homogenization%get(h)
|
||||
|
@ -240,11 +242,11 @@ module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a32,1x,i3)')'Deformation gradient of grain: ',iGrain
|
||||
print'(a,i3)',' Deformation gradient of grain: ',iGrain
|
||||
do i = 1,3
|
||||
write(6,'(1x,3(e15.8,1x))')(F(i,j,iGrain), j = 1,3)
|
||||
print'(1x,3(e15.8,1x))',(F(i,j,iGrain), j = 1,3)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -303,11 +305,11 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30)')'Obtained state: '
|
||||
print*, 'Obtained state: '
|
||||
do i = 1,size(stt%relaxationVector(:,of))
|
||||
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
|
||||
print'(1x,2(e15.8,1x))', stt%relaxationVector(i,of)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
@ -319,22 +321,6 @@ module procedure mech_RGC_updateState
|
|||
! calculating volume discrepancy and stress penalty related to overall volume discrepancy
|
||||
call volumePenalty(D,dst%volumeDiscrepancy(of),avgF,F,nGrain,instance,of)
|
||||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
do iGrain = 1,nGrain
|
||||
write(6,'(1x,a30,1x,i3,1x,a4,3(1x,e15.8))')'Mismatch magnitude of grain(',iGrain,') :',&
|
||||
NN(1,iGrain),NN(2,iGrain),NN(3,iGrain)
|
||||
write(6,'(/,1x,a30,1x,i3)')'Stress and penalties of grain: ',iGrain
|
||||
do i = 1,3
|
||||
write(6,'(1x,3(e15.8,1x),1x,3(e15.8,1x),1x,3(e15.8,1x))')(P(i,j,iGrain), j = 1,3), &
|
||||
(R(i,j,iGrain), j = 1,3), &
|
||||
(D(i,j,iGrain), j = 1,3)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
enddo
|
||||
endif
|
||||
#endif
|
||||
|
||||
!------------------------------------------------------------------------------------------------
|
||||
! computing the residual stress from the balance of traction at all (interior) interfaces
|
||||
do iNum = 1,nIntFaceTot
|
||||
|
@ -369,9 +355,9 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30,1x,i3)')'Traction at interface: ',iNum
|
||||
write(6,'(1x,3(e15.8,1x))')(tract(iNum,j), j = 1,3)
|
||||
write(6,*)' '
|
||||
print'(a,i3)',' Traction at interface: ',iNum
|
||||
print'(1x,3(e15.8,1x))',(tract(iNum,j), j = 1,3)
|
||||
print*,' '
|
||||
endif
|
||||
#endif
|
||||
enddo
|
||||
|
@ -385,11 +371,10 @@ module procedure mech_RGC_updateState
|
|||
if (debugHomog%extensive .and. prm%of_debug == of) then
|
||||
stresLoc = maxloc(abs(P))
|
||||
residLoc = maxloc(abs(tract))
|
||||
write(6,'(1x,a)')' '
|
||||
write(6,'(1x,a,1x,i2,1x,i4)')'RGC residual check ...',ip,el
|
||||
write(6,'(1x,a15,1x,e15.8,1x,a7,i3,1x,a12,i2,i2)')'Max stress: ',stresMax, &
|
||||
print'(a,i2,1x,i4)',' RGC residual check ... ',ip,el
|
||||
print'(a,e15.8,a,i3,a,i2,i2)', ' Max stress: ',stresMax, &
|
||||
'@ grain ',stresLoc(3),' in component ',stresLoc(1),stresLoc(2)
|
||||
write(6,'(1x,a15,1x,e15.8,1x,a7,i3,1x,a12,i2)')'Max residual: ',residMax, &
|
||||
print'(a,e15.8,a,i3,a,i2)',' Max residual: ',residMax, &
|
||||
' @ iface ',residLoc(1),' in direction ',residLoc(2)
|
||||
flush(6)
|
||||
endif
|
||||
|
@ -403,7 +388,7 @@ module procedure mech_RGC_updateState
|
|||
mech_RGC_updateState = .true.
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive .and. prm%of_debug == of) &
|
||||
write(6,'(1x,a55,/)')'... done and happy'; flush(6)
|
||||
print*, '... done and happy'; flush(6)
|
||||
#endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -423,14 +408,14 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive .and. prm%of_debug == of) then
|
||||
write(6,'(1x,a30,1x,e15.8)') 'Constitutive work: ',stt%work(of)
|
||||
write(6,'(1x,a30,3(1x,e15.8))')'Magnitude mismatch: ',dst%mismatch(1,of), &
|
||||
print'(a,e15.8)', ' Constitutive work: ',stt%work(of)
|
||||
print'(a,3(1x,e15.8))', ' Magnitude mismatch: ',dst%mismatch(1,of), &
|
||||
dst%mismatch(2,of), &
|
||||
dst%mismatch(3,of)
|
||||
write(6,'(1x,a30,1x,e15.8)') 'Penalty energy: ', stt%penaltyEnergy(of)
|
||||
write(6,'(1x,a30,1x,e15.8,/)') 'Volume discrepancy: ', dst%volumeDiscrepancy(of)
|
||||
write(6,'(1x,a30,1x,e15.8)') 'Maximum relaxation rate: ', dst%relaxationRate_max(of)
|
||||
write(6,'(1x,a30,1x,e15.8,/)') 'Average relaxation rate: ', dst%relaxationRate_avg(of)
|
||||
print'(a,e15.8)', ' Penalty energy: ', stt%penaltyEnergy(of)
|
||||
print'(a,e15.8,/)', ' Volume discrepancy: ', dst%volumeDiscrepancy(of)
|
||||
print'(a,e15.8)', ' Maximum relaxation rate: ', dst%relaxationRate_max(of)
|
||||
print'(a,e15.8,/)', ' Average relaxation rate: ', dst%relaxationRate_avg(of)
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -444,7 +429,7 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive .and. prm%of_debug == of) &
|
||||
write(6,'(1x,a,/)') '... broken'; flush(6)
|
||||
print'(a,/)', ' ... broken'; flush(6)
|
||||
#endif
|
||||
|
||||
return
|
||||
|
@ -452,7 +437,7 @@ module procedure mech_RGC_updateState
|
|||
else ! proceed with computing the Jacobian and state update
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive .and. prm%of_debug == of) &
|
||||
write(6,'(1x,a,/)') '... not yet done'; flush(6)
|
||||
print'(a,/)', ' ... not yet done'; flush(6)
|
||||
#endif
|
||||
|
||||
endif
|
||||
|
@ -509,11 +494,11 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30)')'Jacobian matrix of stress'
|
||||
print*, 'Jacobian matrix of stress'
|
||||
do i = 1,3*nIntFaceTot
|
||||
write(6,'(1x,100(e11.4,1x))')(smatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
print'(1x,100(e11.4,1x))',(smatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -569,11 +554,11 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30)')'Jacobian matrix of penalty'
|
||||
print*, 'Jacobian matrix of penalty'
|
||||
do i = 1,3*nIntFaceTot
|
||||
write(6,'(1x,100(e11.4,1x))')(pmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
print'(1x,100(e11.4,1x))',(pmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -588,11 +573,11 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30)')'Jacobian matrix of penalty'
|
||||
print*, 'Jacobian matrix of penalty'
|
||||
do i = 1,3*nIntFaceTot
|
||||
write(6,'(1x,100(e11.4,1x))')(rmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
print'(1x,100(e11.4,1x))',(rmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -603,11 +588,11 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30)')'Jacobian matrix (total)'
|
||||
print*, 'Jacobian matrix (total)'
|
||||
do i = 1,3*nIntFaceTot
|
||||
write(6,'(1x,100(e11.4,1x))')(jmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
print'(1x,100(e11.4,1x))',(jmatrix(i,j), j = 1,3*nIntFaceTot)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -619,11 +604,11 @@ module procedure mech_RGC_updateState
|
|||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30)')'Jacobian inverse'
|
||||
print*, 'Jacobian inverse'
|
||||
do i = 1,3*nIntFaceTot
|
||||
write(6,'(1x,100(e11.4,1x))')(jnverse(i,j), j = 1,3*nIntFaceTot)
|
||||
print'(1x,100(e11.4,1x))',(jnverse(i,j), j = 1,3*nIntFaceTot)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -638,19 +623,19 @@ module procedure mech_RGC_updateState
|
|||
if (any(abs(drelax) > num%maxdRelax)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
|
||||
mech_RGC_updateState = [.true.,.false.]
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(1x,a,1x,i3,1x,a,1x,i3,1x,a)')'RGC_updateState: ip',ip,'| el',el,'enforces cutback'
|
||||
write(6,'(1x,a,1x,e15.8)')'due to large relaxation change =',maxval(abs(drelax))
|
||||
print'(a,i3,a,i3,a)',' RGC_updateState: ip ',ip,' | el ',el,' enforces cutback'
|
||||
print'(a,e15.8)',' due to large relaxation change = ',maxval(abs(drelax))
|
||||
flush(6)
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive) then
|
||||
write(6,'(1x,a30)')'Returned state: '
|
||||
print*, 'Returned state: '
|
||||
do i = 1,size(stt%relaxationVector(:,of))
|
||||
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
|
||||
print'(1x,2(e15.8,1x))', stt%relaxationVector(i,of)
|
||||
enddo
|
||||
write(6,*)' '
|
||||
print*,' '
|
||||
flush(6)
|
||||
endif
|
||||
#endif
|
||||
|
@ -678,9 +663,6 @@ module procedure mech_RGC_updateState
|
|||
integer :: iGrain,iGNghb,iFace,i,j,k,l
|
||||
real(pReal) :: muGrain,muGNghb,nDefNorm,bgGrain,bgGNghb
|
||||
real(pReal), parameter :: nDefToler = 1.0e-10_pReal
|
||||
#ifdef DEBUG
|
||||
logical :: debugActive
|
||||
#endif
|
||||
|
||||
nGDim = param(instance)%Nconstituents
|
||||
rPen = 0.0_pReal
|
||||
|
@ -695,11 +677,9 @@ module procedure mech_RGC_updateState
|
|||
associate(prm => param(instance))
|
||||
|
||||
#ifdef DEBUG
|
||||
debugActive = debugHomog%extensive .and. prm%of_debug == of
|
||||
|
||||
if (debugActive) then
|
||||
write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
|
||||
write(6,*) surfCorr
|
||||
if (debugHomog%extensive .and. prm%of_debug == of) then
|
||||
print'(a,2(1x,i3))', ' Correction factor: ',ip,el
|
||||
print*, surfCorr
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
@ -738,10 +718,10 @@ module procedure mech_RGC_updateState
|
|||
nDefNorm = max(nDefToler,sqrt(nDefNorm)) ! approximation to zero mismatch if mismatch is zero (singularity)
|
||||
nMis(abs(intFace(1)),iGrain) = nMis(abs(intFace(1)),iGrain) + nDefNorm ! total amount of mismatch experienced by the grain (at all six interfaces)
|
||||
#ifdef DEBUG
|
||||
if (debugActive) then
|
||||
write(6,'(1x,a20,i2,1x,a20,1x,i3)')'Mismatch to face: ',intFace(1),'neighbor grain: ',iGNghb
|
||||
write(6,*) transpose(nDef)
|
||||
write(6,'(1x,a20,e11.4)')'with magnitude: ',nDefNorm
|
||||
if (debugHomog%extensive .and. prm%of_debug == of) then
|
||||
print'(a,i2,a,i3)',' Mismatch to face: ',intFace(1),' neighbor grain: ',iGNghb
|
||||
print*, transpose(nDef)
|
||||
print'(a,e11.4)', ' with magnitude: ',nDefNorm
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
@ -756,9 +736,9 @@ module procedure mech_RGC_updateState
|
|||
enddo; enddo;enddo; enddo
|
||||
enddo interfaceLoop
|
||||
#ifdef DEBUG
|
||||
if (debugActive) then
|
||||
write(6,'(1x,a20,i2)')'Penalty of grain: ',iGrain
|
||||
write(6,*) transpose(rPen(1:3,1:3,iGrain))
|
||||
if (debugHomog%extensive .and. prm%of_debug == of) then
|
||||
print'(a,i2)', ' Penalty of grain: ',iGrain
|
||||
print*, transpose(rPen(1:3,1:3,iGrain))
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
@ -805,10 +785,9 @@ module procedure mech_RGC_updateState
|
|||
gVol(i)*transpose(math_inv33(fDef(:,:,i)))
|
||||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive &
|
||||
.and. param(instance)%of_debug == of) then
|
||||
write(6,'(1x,a30,i2)')'Volume penalty of grain: ',i
|
||||
write(6,*) transpose(vPen(:,:,i))
|
||||
if (debugHomog%extensive .and. param(instance)%of_debug == of) then
|
||||
print'(a,i2)',' Volume penalty of grain: ',i
|
||||
print*, transpose(vPen(:,:,i))
|
||||
endif
|
||||
#endif
|
||||
enddo
|
||||
|
|
|
@ -37,14 +37,14 @@ module subroutine mech_isostrain_init
|
|||
homog, &
|
||||
homogMech
|
||||
|
||||
write(6,'(/,a)') ' <<<+- homogenization_mech_isostrain init -+>>>'
|
||||
print'(/,a)', ' <<<+- homogenization_mech_isostrain init -+>>>'
|
||||
|
||||
Ninstance = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
|
||||
allocate(param(Ninstance)) ! one container of parameters per instance
|
||||
|
||||
material_homogenization => material_root%get('homogenization')
|
||||
material_homogenization => config_material%get('homogenization')
|
||||
do h = 1, size(homogenization_type)
|
||||
if (homogenization_type(h) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle
|
||||
homog => material_homogenization%get(h)
|
||||
|
|
|
@ -18,10 +18,10 @@ module subroutine mech_none_init
|
|||
h, &
|
||||
NofMyHomog
|
||||
|
||||
write(6,'(/,a)') ' <<<+- homogenization_mech_none init -+>>>'
|
||||
print'(/,a)', ' <<<+- homogenization_mech_none init -+>>>'
|
||||
|
||||
Ninstance = count(homogenization_type == HOMOGENIZATION_NONE_ID)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
|
||||
do h = 1, size(homogenization_type)
|
||||
if (homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle
|
||||
|
|
|
@ -45,15 +45,14 @@ module function kinematics_cleavage_opening_init(kinematics_length) result(myKin
|
|||
kinematics, &
|
||||
kinematic_type
|
||||
|
||||
write(6,'(/,a)') ' <<<+- kinematics_cleavage_opening init -+>>>'
|
||||
print'(/,a)', ' <<<+- kinematics_cleavage_opening init -+>>>'
|
||||
|
||||
myKinematics = kinematics_active('cleavage_opening',kinematics_length)
|
||||
|
||||
Ninstance = count(myKinematics)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(param(Ninstance))
|
||||
allocate(kinematics_cleavage_opening_instance(phases%length), source=0)
|
||||
|
||||
|
|
|
@ -48,15 +48,14 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
|
|||
kinematics, &
|
||||
kinematic_type
|
||||
|
||||
write(6,'(/,a)') ' <<<+- kinematics_slipplane init -+>>>'
|
||||
print'(/,a)', ' <<<+- kinematics_slipplane init -+>>>'
|
||||
|
||||
myKinematics = kinematics_active('slipplane_opening',kinematics_length)
|
||||
|
||||
Ninstance = count(myKinematics)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(kinematics_slipplane_opening_instance(phases%length), source=0)
|
||||
allocate(param(Ninstance))
|
||||
|
||||
|
|
|
@ -38,15 +38,14 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
|
|||
kinematics, &
|
||||
kinematic_type
|
||||
|
||||
write(6,'(/,a)') ' <<<+- kinematics_thermal_expansion init -+>>>'
|
||||
print'(/,a)', ' <<<+- kinematics_thermal_expansion init -+>>>'
|
||||
|
||||
myKinematics = kinematics_active('thermal_expansion',kinematics_length)
|
||||
|
||||
Ninstance = count(myKinematics)
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
|
||||
print'(a,i2)', ' # instances: ',Ninstance; flush(6)
|
||||
if(Ninstance == 0) return
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(param(Ninstance))
|
||||
allocate(kinematics_thermal_expansion_instance(phases%length), source=0)
|
||||
|
||||
|
|
|
@ -457,9 +457,9 @@ subroutine lattice_init
|
|||
phase, &
|
||||
elasticity
|
||||
|
||||
write(6,'(/,a)') ' <<<+- lattice init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(6)
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
Nphases = phases%length
|
||||
|
||||
allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID)
|
||||
|
@ -738,7 +738,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
|
|||
type(rotation) :: R
|
||||
integer :: i
|
||||
|
||||
if (abs(sense) /= 1) call IO_error(0,ext_msg='lattice_nonSchmidMatrix')
|
||||
if (abs(sense) /= 1) error stop 'Sense in lattice_nonSchmidMatrix'
|
||||
|
||||
coordinateSystem = buildCoordinateSystem(Nslip,BCC_NSLIPSYSTEM,BCC_SYSTEMSLIP,&
|
||||
'bcc',0.0_pReal)
|
||||
|
@ -2299,7 +2299,7 @@ end function equivalent_mu
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief check correctness of some lattice functions
|
||||
!> @brief Check correctness of some lattice functions.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine selfTest
|
||||
|
||||
|
@ -2314,21 +2314,19 @@ subroutine selfTest
|
|||
|
||||
system = reshape([1.0_pReal+r(1),0.0_pReal,0.0_pReal, 0.0_pReal,1.0_pReal+r(2),0.0_pReal],[6,1])
|
||||
CoSy = buildCoordinateSystem([1],[1],system,'fcc',0.0_pReal)
|
||||
if(any(dNeq(CoSy(1:3,1:3,1),math_I3))) &
|
||||
call IO_error(0)
|
||||
if(any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
|
||||
|
||||
call random_number(C)
|
||||
C(1,1) = C(1,1) + 1.0_pReal
|
||||
C = applyLatticeSymmetryC66(C,'iso')
|
||||
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) &
|
||||
call IO_error(0,ext_msg='equivalent_mu/voigt')
|
||||
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) &
|
||||
call IO_error(0,ext_msg='equivalent_mu/reuss')
|
||||
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt'
|
||||
if(dNeq(C(6,6),equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss'
|
||||
|
||||
lambda = C(1,2)
|
||||
if(dNeq(lambda*0.5_pReal/(lambda+equivalent_mu(C,'voigt')),equivalent_nu(C,'voigt'),1.0e-12_pReal)) &
|
||||
call IO_error(0,ext_msg='equivalent_nu/voigt')
|
||||
error stop 'equivalent_nu/voigt'
|
||||
if(dNeq(lambda*0.5_pReal/(lambda+equivalent_mu(C,'reuss')),equivalent_nu(C,'reuss'),1.0e-12_pReal)) &
|
||||
call IO_error(0,ext_msg='equivalent_nu/reuss')
|
||||
error stop 'equivalent_nu/reuss'
|
||||
|
||||
end subroutine selfTest
|
||||
|
||||
|
|
453
src/list.f90
453
src/list.f90
|
@ -1,453 +0,0 @@
|
|||
!-------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief Linked list
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module list
|
||||
use prec
|
||||
use IO
|
||||
|
||||
implicit none
|
||||
private
|
||||
type, private :: tPartitionedString
|
||||
character(len=:), allocatable :: val
|
||||
integer, dimension(:), allocatable :: pos
|
||||
end type tPartitionedString
|
||||
|
||||
type, public :: tPartitionedStringList
|
||||
type(tPartitionedString) :: string
|
||||
type(tPartitionedStringList), pointer :: next => null()
|
||||
contains
|
||||
procedure :: add => add
|
||||
procedure :: show => show
|
||||
procedure :: free => free
|
||||
|
||||
! currently, a finalize is needed for all shapes of tPartitionedStringList.
|
||||
! with Fortran 2015, we can define one recursive elemental function
|
||||
! https://software.intel.com/en-us/forums/intel-visual-fortran-compiler-for-windows/topic/543326
|
||||
final :: finalize, &
|
||||
finalizeArray
|
||||
|
||||
procedure :: keyExists => keyExists
|
||||
procedure :: countKeys => countKeys
|
||||
|
||||
procedure :: getFloat => getFloat
|
||||
procedure :: getInt => getInt
|
||||
procedure :: getString => getString
|
||||
|
||||
procedure :: getFloats => getFloats
|
||||
procedure :: getInts => getInts
|
||||
procedure :: getStrings => getStrings
|
||||
|
||||
end type tPartitionedStringList
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief add element
|
||||
!> @details Adds a string together with the start/end position of chunks in this string. The new
|
||||
!! element is added at the end of the list. Empty strings are not added. All strings are converted
|
||||
!! to lower case. The data is not stored in the new element but in the current.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine add(this,string)
|
||||
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: string
|
||||
type(tPartitionedStringList), pointer :: new, temp
|
||||
|
||||
if (IO_isBlank(string)) return
|
||||
|
||||
allocate(new)
|
||||
temp => this
|
||||
do while (associated(temp%next))
|
||||
temp => temp%next
|
||||
enddo
|
||||
temp%string%val = IO_lc (trim(string))
|
||||
temp%string%pos = IO_stringPos(trim(string))
|
||||
temp%next => new
|
||||
|
||||
end subroutine add
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief prints all elements
|
||||
!> @details Strings are printed in order of insertion (FIFO)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine show(this)
|
||||
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
write(6,'(a)') ' '//trim(item%string%val)
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
end subroutine show
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief empties list and frees associated memory
|
||||
!> @details explicit interface to reset list. Triggers final statement (and following chain reaction)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine free(this)
|
||||
|
||||
class(tPartitionedStringList), intent(inout) :: this
|
||||
|
||||
if(associated(this%next)) deallocate(this%next)
|
||||
|
||||
end subroutine free
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief empties list and frees associated memory
|
||||
!> @details called when variable goes out of scope. Triggers chain reaction for list
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
recursive subroutine finalize(this)
|
||||
|
||||
type(tPartitionedStringList), intent(inout) :: this
|
||||
|
||||
if(associated(this%next)) deallocate(this%next)
|
||||
|
||||
end subroutine finalize
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief cleans entire array of linke lists
|
||||
!> @details called when variable goes out of scope and deallocates the list at each array entry
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine finalizeArray(this)
|
||||
|
||||
integer :: i
|
||||
type(tPartitionedStringList), intent(inout), dimension(:) :: this
|
||||
type(tPartitionedStringList), pointer :: temp ! bug in Gfortran?
|
||||
|
||||
do i=1, size(this)
|
||||
if (associated(this(i)%next)) then
|
||||
temp => this(i)%next
|
||||
!deallocate(this(i)) !internal compiler error: in gfc_build_final_call, at fortran/trans.c:975
|
||||
deallocate(temp)
|
||||
endif
|
||||
enddo
|
||||
|
||||
end subroutine finalizeArray
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reports wether a given key (string value at first position) exists in the list
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical function keyExists(this,key)
|
||||
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
||||
keyExists = .false.
|
||||
|
||||
item => this
|
||||
do while (associated(item%next) .and. .not. keyExists)
|
||||
keyExists = trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
end function keyExists
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief count number of key appearances
|
||||
!> @details traverses list and counts each occurrence of specified key
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function countKeys(this,key)
|
||||
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
|
||||
countKeys = 0
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) &
|
||||
countKeys = countKeys + 1
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
end function countKeys
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief gets float value of for a given key from a linked list
|
||||
!> @details gets the last value if the key occurs more than once. If key is not found exits with
|
||||
!! error unless default is given
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) function getFloat(this,key,defaultVal)
|
||||
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
real(pReal), intent(in), optional :: defaultVal
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
logical :: found
|
||||
|
||||
getFloat = huge(1.0) ! suppress warning about unitialized value
|
||||
found = present(defaultVal)
|
||||
if (found) getFloat = defaultVal
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
||||
getFloat = IO_FloatValue(item%string%val,item%string%pos,2)
|
||||
endif
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
if (.not. found) call IO_error(140,ext_msg=key)
|
||||
|
||||
end function getFloat
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief gets integer value of for a given key from a linked list
|
||||
!> @details gets the last value if the key occurs more than once. If key is not found exits with
|
||||
!! error unless default is given
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function getInt(this,key,defaultVal)
|
||||
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
integer, intent(in), optional :: defaultVal
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
logical :: found
|
||||
|
||||
getInt = huge(1) ! suppress warning about unitialized value
|
||||
found = present(defaultVal)
|
||||
if (found) getInt = defaultVal
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
||||
getInt = IO_IntValue(item%string%val,item%string%pos,2)
|
||||
endif
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
if (.not. found) call IO_error(140,ext_msg=key)
|
||||
|
||||
end function getInt
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief gets string value of for a given key from a linked list
|
||||
!> @details gets the last value if the key occurs more than once. If key is not found exits with
|
||||
!! error unless default is given. If raw is true, the the complete string is returned, otherwise
|
||||
!! the individual chunks are returned
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
character(len=pStringLen) function getString(this,key,defaultVal,raw)
|
||||
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
character(len=*), intent(in), optional :: defaultVal
|
||||
logical, intent(in), optional :: raw
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
logical :: found, &
|
||||
whole
|
||||
if (present(raw)) then
|
||||
whole = raw
|
||||
else
|
||||
whole = .false.
|
||||
endif
|
||||
|
||||
found = present(defaultVal)
|
||||
if (found) then
|
||||
if (len_trim(defaultVal) > len(getString)) call IO_error(0,ext_msg='getString')
|
||||
getString = trim(defaultVal)
|
||||
endif
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
||||
|
||||
if (whole) then
|
||||
getString = trim(item%string%val(item%string%pos(4):)) ! raw string starting a second chunk
|
||||
else
|
||||
getString = IO_StringValue(item%string%val,item%string%pos,2)
|
||||
endif
|
||||
endif
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
if (.not. found) call IO_error(140,ext_msg=key)
|
||||
|
||||
end function getString
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief gets array of float values of for a given key from a linked list
|
||||
!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
|
||||
!! values from the last occurrence. If key is not found exits with error unless default is given.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function getFloats(this,key,defaultVal,requiredSize)
|
||||
|
||||
real(pReal), dimension(:), allocatable :: getFloats
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
real(pReal), dimension(:), intent(in), optional :: defaultVal
|
||||
integer, intent(in), optional :: requiredSize
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
integer :: i
|
||||
logical :: found, &
|
||||
cumulative
|
||||
|
||||
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
|
||||
found = .false.
|
||||
|
||||
allocate(getFloats(0))
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (.not. cumulative) getFloats = [real(pReal)::]
|
||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
||||
do i = 2, item%string%pos(1)
|
||||
getFloats = [getFloats,IO_FloatValue(item%string%val,item%string%pos,i)]
|
||||
enddo
|
||||
endif
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
if (.not. found) then
|
||||
if (present(defaultVal)) then; getFloats = defaultVal; else; call IO_error(140,ext_msg=key); endif
|
||||
endif
|
||||
if (present(requiredSize)) then
|
||||
if(requiredSize /= size(getFloats)) call IO_error(146,ext_msg=key)
|
||||
endif
|
||||
|
||||
end function getFloats
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief gets array of integer values of for a given key from a linked list
|
||||
!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
|
||||
!! values from the last occurrence. If key is not found exits with error unless default is given.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function getInts(this,key,defaultVal,requiredSize)
|
||||
|
||||
integer, dimension(:), allocatable :: getInts
|
||||
class(tPartitionedStringList), target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
integer, dimension(:), intent(in), optional :: defaultVal
|
||||
integer, intent(in), optional :: requiredSize
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
integer :: i
|
||||
logical :: found, &
|
||||
cumulative
|
||||
|
||||
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
|
||||
found = .false.
|
||||
|
||||
allocate(getInts(0))
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (.not. cumulative) getInts = [integer::]
|
||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
||||
do i = 2, item%string%pos(1)
|
||||
getInts = [getInts,IO_IntValue(item%string%val,item%string%pos,i)]
|
||||
enddo
|
||||
endif
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
if (.not. found) then
|
||||
if (present(defaultVal)) then; getInts = defaultVal; else; call IO_error(140,ext_msg=key); endif
|
||||
endif
|
||||
if (present(requiredSize)) then
|
||||
if(requiredSize /= size(getInts)) call IO_error(146,ext_msg=key)
|
||||
endif
|
||||
|
||||
end function getInts
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief gets array of string values of for a given key from a linked list
|
||||
!> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all
|
||||
!! values from the last occurrence. If key is not found exits with error unless default is given.
|
||||
!! If raw is true, the the complete string is returned, otherwise the individual chunks are returned
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function getStrings(this,key,defaultVal,raw)
|
||||
|
||||
character(len=pStringLen),dimension(:), allocatable :: getStrings
|
||||
class(tPartitionedStringList),target, intent(in) :: this
|
||||
character(len=*), intent(in) :: key
|
||||
character(len=*), dimension(:), intent(in), optional :: defaultVal
|
||||
logical, intent(in), optional :: raw
|
||||
type(tPartitionedStringList), pointer :: item
|
||||
character(len=pStringLen) :: str
|
||||
integer :: i
|
||||
logical :: found, &
|
||||
whole, &
|
||||
cumulative
|
||||
|
||||
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
|
||||
if (present(raw)) then
|
||||
whole = raw
|
||||
else
|
||||
whole = .false.
|
||||
endif
|
||||
found = .false.
|
||||
|
||||
item => this
|
||||
do while (associated(item%next))
|
||||
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
|
||||
found = .true.
|
||||
if (allocated(getStrings) .and. .not. cumulative) deallocate(getStrings)
|
||||
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
|
||||
|
||||
notAllocated: if (.not. allocated(getStrings)) then
|
||||
if (whole) then
|
||||
str = item%string%val(item%string%pos(4):)
|
||||
getStrings = [str]
|
||||
else
|
||||
str = IO_StringValue(item%string%val,item%string%pos,2)
|
||||
allocate(getStrings(1),source=str)
|
||||
do i=3,item%string%pos(1)
|
||||
str = IO_StringValue(item%string%val,item%string%pos,i)
|
||||
getStrings = [getStrings,str]
|
||||
enddo
|
||||
endif
|
||||
else notAllocated
|
||||
if (whole) then
|
||||
str = item%string%val(item%string%pos(4):)
|
||||
getStrings = [getStrings,str]
|
||||
else
|
||||
do i=2,item%string%pos(1)
|
||||
str = IO_StringValue(item%string%val,item%string%pos,i)
|
||||
getStrings = [getStrings,str]
|
||||
enddo
|
||||
endif
|
||||
endif notAllocated
|
||||
endif
|
||||
item => item%next
|
||||
enddo
|
||||
|
||||
if (.not. found) then
|
||||
if (present(defaultVal)) then
|
||||
if (len(defaultVal) > len(getStrings)) call IO_error(0,ext_msg='getStrings')
|
||||
getStrings = defaultVal
|
||||
else
|
||||
call IO_error(140,ext_msg=key)
|
||||
endif
|
||||
endif
|
||||
|
||||
end function getStrings
|
||||
|
||||
|
||||
end module list
|
|
@ -74,12 +74,12 @@ subroutine discretization_marc_init
|
|||
|
||||
!---------------------------------------------------------------------------------
|
||||
! read debug parameters
|
||||
debug_e = debug_root%get_asInt('element',defaultVal=1)
|
||||
debug_i = debug_root%get_asInt('integrationpoint',defaultVal=1)
|
||||
debug_e = config_debug%get_asInt('element',defaultVal=1)
|
||||
debug_i = config_debug%get_asInt('integrationpoint',defaultVal=1)
|
||||
|
||||
!--------------------------------------------------------------------------------
|
||||
! read numerics parameter and do sanity check
|
||||
num_commercialFEM => numerics_root%get('commercialFEM',defaultVal = emptyDict)
|
||||
num_commercialFEM => config_numerics%get('commercialFEM',defaultVal = emptyDict)
|
||||
mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh
|
||||
if (mesh_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength')
|
||||
|
||||
|
@ -197,7 +197,7 @@ subroutine inputRead(elem,node0_elem,connectivity_elem,microstructureAt)
|
|||
integer, dimension(:,:), allocatable :: &
|
||||
mapElemSet !< list of elements in elementSet
|
||||
|
||||
inputFile = IO_read_ASCII(trim(getSolverJobName())//trim(InputFileExtension))
|
||||
inputFile = IO_readlines(trim(getSolverJobName())//trim(InputFileExtension))
|
||||
call inputRead_fileFormat(fileFormatVersion, &
|
||||
inputFile)
|
||||
call inputRead_tableStyles(initialcondTableStyle,hypoelasticTableStyle, &
|
||||
|
@ -723,7 +723,7 @@ subroutine inputRead_microstructure(microstructureAt,&
|
|||
endif
|
||||
enddo
|
||||
|
||||
if(any(microstructureAt < 1)) call IO_error(190)
|
||||
if(any(microstructureAt < 1)) call IO_error(180)
|
||||
|
||||
end subroutine inputRead_microstructure
|
||||
|
||||
|
|
|
@ -0,0 +1,443 @@
|
|||
! common block definition file taken from respective MSC.Marc release and reformated to free format
|
||||
!***********************************************************************
|
||||
!
|
||||
! File: concom.cmn
|
||||
!
|
||||
! MSC.Marc include file
|
||||
!
|
||||
integer &
|
||||
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
|
||||
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
|
||||
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
|
||||
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
|
||||
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
|
||||
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
|
||||
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
|
||||
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
|
||||
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
|
||||
ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
|
||||
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
|
||||
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
|
||||
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
|
||||
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
|
||||
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
|
||||
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
|
||||
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
|
||||
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
|
||||
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror,&
|
||||
icsprg, imol, imolt, idatafit,iharmpar, inclcase, imultifreq,init_elas, ifatig, iftgmat
|
||||
dimension :: ideva(60)
|
||||
integer num_concom
|
||||
parameter(num_concom=260)
|
||||
common/marc_concom/&
|
||||
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
|
||||
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
|
||||
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
|
||||
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
|
||||
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
|
||||
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
|
||||
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
|
||||
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
|
||||
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
|
||||
ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
|
||||
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
|
||||
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
|
||||
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
|
||||
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
|
||||
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
|
||||
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
|
||||
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
|
||||
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
|
||||
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror,&
|
||||
icsprg, imol, imolt, idatafit,iharmpar, inclcase, imultifreq,init_elas, ifatig, iftgmat
|
||||
!
|
||||
! comments of variables:
|
||||
!
|
||||
! iacous Control flag for acoustic analysis. Input data.
|
||||
! iacous=1 modal acoustic analysis.
|
||||
! iacous=2 harmonic acoustic-structural analysis.
|
||||
! iasmbl Control flag to indicate that operator matrix should be
|
||||
! recalculated.
|
||||
! iautth Control flag for AUTO THERM option.
|
||||
! ibear Control flag for bearing analysis. Input data.
|
||||
! icompl Control variable to indicate that a complex analysis is
|
||||
! being performed. Either a Harmonic analysis with damping,
|
||||
! or a harmonic electro-magnetic analysis. Input data.
|
||||
! iconj Flag for EBE conjugate gradient solver (=solver 1, retired)
|
||||
! Also used for VKI iterative solver.
|
||||
! icreep Control flag for creep analysis. Input data.
|
||||
! ideva(60) - debug print out flag
|
||||
! 1 print element stiffness matrices, mass matrix
|
||||
! 2 output matrices used in tying
|
||||
! 3 force the solution of a nonpositive definite matrix
|
||||
! 4 print info of connections to each node
|
||||
! 5 info of gap convergence, internal heat generated, contact
|
||||
! touching and separation
|
||||
! 6 nodal value array during rezoning
|
||||
! 7 tying info in CONRAD GAP option, fluid element numbers in
|
||||
! CHANNEL option
|
||||
! 8 output incremental displacements in local coord. system
|
||||
! 9 latent heat output
|
||||
! 10 stress-strain in local coord. system
|
||||
! 11 additional info on interlaminar stress
|
||||
! 12 output right hand side and solution vector
|
||||
! 13 info of CPU resources used and memory available on NT
|
||||
! 14 info of mesh adaption process, 2D outline information
|
||||
! info of penetration checking for remeshing
|
||||
! save .fem files after afmesh3d meshing
|
||||
! 15 surface energy balance flag
|
||||
! 16 print info regarding pyrolysis
|
||||
! 17 print info of "streamline topology"
|
||||
! 18 print mesh data changes after remeshing
|
||||
! 19 print material flow stress data read in from *.mat file
|
||||
! if unit flag is on, print out flow stress after conversion
|
||||
! 20 print information on table input
|
||||
! 21 print out information regarding kinematic boundary conditions
|
||||
! 22 print out information regarding dist loads, point loads, film
|
||||
! and foundations
|
||||
! 23 print out information about automatic domain decomposition
|
||||
! 24 print out iteration information in SuperForm status report file
|
||||
! 25 print out information for ablation
|
||||
! 26 print out information for films - Table input
|
||||
! 27 print out the tying forces
|
||||
! 28 print out for CASI solver, convection,
|
||||
! 29 DDM single file debug printout
|
||||
! 30 print out cavity debug info
|
||||
! 31 print out welding related info
|
||||
! 32 prints categorized DDM memory usage
|
||||
! 33 print out the cutting info regarding machining feature
|
||||
! 34 print out the list of quantities which can be defined via a table
|
||||
! and for each quantity the supported independent variables
|
||||
! 35 print out detailed coupling region info
|
||||
! 36 print out solver debug info level 1 (Least Detailed)
|
||||
! 37 print out solver debug info level 1 (Medium Detailed)
|
||||
! 38 print out solver debug info level 1 (Very Detailed)
|
||||
! 39 print detailed memory allocation info
|
||||
! 40 print out marc-adams debug info
|
||||
! 41 output rezone mapping post file for debugging
|
||||
! 42 output post file after calling oprofos() for debugging
|
||||
! 43 debug printout for vcct
|
||||
! 44 debug printout for progressive failure
|
||||
! 45 print out automatically generated midside node coordinates (arecrd)
|
||||
! 46 print out message about routine and location, where the ibort is raised (ibort_inc)
|
||||
! 47 print out summary message of element variables on a
|
||||
! group-basis after all the automatic changes have been
|
||||
! made (em_ellibp)
|
||||
! 48 Automatically generate check results based on max and min vals.
|
||||
! These vals are stored in the checkr file, which is inserted
|
||||
! into the *dat file by the generate_check_results script from /marc/tools
|
||||
! 49 Automatically generate check results based on the real calculated values
|
||||
! at the sppecified check result locations.
|
||||
! These vals are stored in the checkr file, which is inserted
|
||||
! into the *dat file by the update_check_results script from /marc/tools
|
||||
! 50 generate a file containing the resistance or capacity matrix;
|
||||
! this file can be used to compare results with a reference file
|
||||
! 51 print out detailed information for segment-to-segment contact
|
||||
! 52 print out detailed relative displacement information
|
||||
! for uniaxial sliding contact
|
||||
! 53 print out detailed sliding direction information for
|
||||
! uniaxial sliding contact
|
||||
! 54 print out detailed information for edges attached to a curve
|
||||
! 55 print information related to viscoelasticity calculations
|
||||
! 56 print out detailed information for element coloring for multithreading
|
||||
! 57 print out extra overheads due to multi-threading.
|
||||
! These overhead includes (i) time and (ii) memory.
|
||||
! The memory report will be summed over all the children.
|
||||
!
|
||||
!
|
||||
! 58 debug output for ELSTO usage
|
||||
!
|
||||
! idyn Control flag for dynamics. Input data.
|
||||
! 1 = eigenvalue extraction and / or modal superposition
|
||||
! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1)
|
||||
! 3 = Houbolt
|
||||
! 4 = Central difference
|
||||
! 5 = Newer central difference
|
||||
! idynt Copy of idyn at begining of increment
|
||||
! ielas Control flag for ELASTIC analysis. Input data.
|
||||
! Set by user or automatically turned on by Fourier option.
|
||||
! Implies that each load case is treated separately.
|
||||
! In Adaptive meshing analysis , forces re-analysis until
|
||||
! convergence obtained.
|
||||
! Also seriously misused to indicate no convergence.
|
||||
! = 1 elastic option with fourier analysis
|
||||
! = 2 elastic option without fourier analysis
|
||||
! =-1 no convergence in recycles or max # increments reached
|
||||
! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used,
|
||||
! or if fourier option is used.
|
||||
! Then set to 2 if not fourier analysis.
|
||||
! ielcma Control flag for electromagnetic analysis. Input data.
|
||||
! ielcma = 1 Harmonic formulation
|
||||
! ielcma = 2 Transient formulation
|
||||
! ielect Control flag for electrostatic option. Input data.
|
||||
! iform Control flag indicating that contact will be performed.
|
||||
! ifour Control flag for Fourier analysis.
|
||||
! 0 = Odd and even terms.
|
||||
! 1 = symmetric (cosine) terms
|
||||
! 2 = antisymmetric (sine) terms.
|
||||
! iharm Control flag to indicate that a harmonic analysis will
|
||||
! be performed. May change between passes.
|
||||
! ihcps Control flag for coupled thermal - stress analysis.
|
||||
! iheat Control flag for heat transfer analysis. Input data.
|
||||
! iheatt Permanent control flag for heat transfer analysis.
|
||||
! Note in coupled analysis iheatt will remain as one,
|
||||
! but iheat will be zero in stress pass.
|
||||
! ihresp Control flag to indicate to perform a harmonic subincrement.
|
||||
! ijoule Control flag for Joule heating.
|
||||
! ilem Control flag to determin which vector is to be transformed.
|
||||
! Control flag to see where one is:
|
||||
! ilem = 1 - elem.f
|
||||
! ilem = 2 - initst.f
|
||||
! ilem = 3 - pressr.f
|
||||
! ilem = 3 - fstif.f
|
||||
! ilem = 4 - jflux.f
|
||||
! ilem = 4 - strass.f
|
||||
! ilem = 5 - mass.f
|
||||
! ilem = 5 - osolty.f
|
||||
! ilnmom Control flag for soil - pore pressure calculation. Input data.
|
||||
! ilnmom = 0 - perform only pore pressure calculation.
|
||||
! = 1 - couples pore pressure - displacement analysis
|
||||
! iloren Control flag for DeLorenzi J-Integral evaluation. Input data.
|
||||
! inc Increment number.
|
||||
! incext Control flag indicating that currently working on a
|
||||
! subincrement.
|
||||
! Could be due to harmonics , damping component (bearing),
|
||||
! stiffness component (bearing), auto therm creep or
|
||||
! old viscoplaticity
|
||||
! incsub Sub-increment number.
|
||||
! ipass Control flag for which part of coupled analysis.
|
||||
! ipass = -1 - reset to base values
|
||||
! ipass = 0 - do nothing
|
||||
! ipass = 1 - stress part
|
||||
! ipass = 2 - heat transfer part
|
||||
! iplres Flag indicating that either second matrix is stored.
|
||||
! dynamic analysis - mass matrix
|
||||
! heat transfer - specific heat matrix
|
||||
! buckle - initial stress stiffness
|
||||
! ipois Control flag indicating Poisson type analysis
|
||||
! ipois = 1 for heat transfer
|
||||
! = 1 for heat transfer part of coupled
|
||||
! = 1 for bearing
|
||||
! = 1 for electrostatic
|
||||
! = 1 for magnetostatic
|
||||
! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0
|
||||
! in stress portion, yet ipoist will still =1.
|
||||
! irpflo global flag for rigid plastic flow analysis
|
||||
! = 1 eularian formulation
|
||||
! = 2 regular formulation; rigid material present in the analysis
|
||||
|
||||
! ismall control flag to indicate small displacement analysis. input data.
|
||||
! ismall = 0 - large disp included.
|
||||
! ismall = 1 - small displacement.
|
||||
! the flag is changing between passes.
|
||||
! ismalt permanent copy of ismall . in heat transfer portion of
|
||||
! coupled analysis ismall =0 , but ismalt remains the same.
|
||||
! isoil control flag indicating that soil / pore pressure
|
||||
! calculation . input data.
|
||||
! ispect control flag for response spectrum calculation. input data.
|
||||
! ispnow control flag to indicate to perform a spectrum response
|
||||
! calculation now.
|
||||
! istore store stresses flag.
|
||||
! istore = 0 in elem.f and if first pass of creep
|
||||
! convergence checking in ogetst.f
|
||||
! or harmonic analysis or thruc.f if not
|
||||
! converged.
|
||||
! iswep control flag for eigenvalue analysis.
|
||||
! iswep=1 - go do extraction process
|
||||
! ithcrp control flag for auto therm creep option. input data.
|
||||
! itherm control flag for either temperature dependent material
|
||||
! properties and/or thermal loads.
|
||||
! iupblg control flag for follower force option. input data.
|
||||
! iupdat control flag for update lagrange option for current element.
|
||||
! jacflg control flag for lanczos iteration method. input data.
|
||||
! jel control flag indicating that total load applied in
|
||||
! increment, ignore previous solution.
|
||||
! jel = 1 in increment 0
|
||||
! = 1 if elastic or fourier
|
||||
! = 1 in subincrements with elastic and adaptive
|
||||
! jparks control flag for j integral by parks method. input data.
|
||||
! largst control flag for finite strain plasticity. input data.
|
||||
! lfond control variable that indicates if doing elastic
|
||||
! foundation or film calculation. influences whether
|
||||
! this is volumetric or surface integration.
|
||||
! loadup control flag that indicates that nonlinearity occurred
|
||||
! during previous increment.
|
||||
! loaduq control flag that indicates that nonlinearity occurred.
|
||||
! lodcor control flag for switching on the residual load correction.
|
||||
! notice in input stage lodcor=0 means no loadcor,
|
||||
! after omarc lodcor=1 means no loadcor
|
||||
! lovl control flag for determining which "overlay" is to
|
||||
! be called from ellib.
|
||||
! lovl = 1 omarc
|
||||
! = 2 oaread
|
||||
! = 3 opress
|
||||
! = 4 oasemb
|
||||
! = 5 osolty
|
||||
! = 6 ogetst
|
||||
! = 7 oscinc
|
||||
! = 8 odynam
|
||||
! = 9 opmesh
|
||||
! = 10 omesh2
|
||||
! = 11 osetz
|
||||
! = 12 oass
|
||||
! = 13 oincdt
|
||||
! = 14 oasmas
|
||||
! = 15 ofluas
|
||||
! = 16 ofluso
|
||||
! = 17 oshtra
|
||||
! = 18 ocass
|
||||
! = 19 osoltc
|
||||
! = 20 orezon
|
||||
! = 21 otest
|
||||
! = 22 oeigen
|
||||
! lsub control variable to determine which part of element
|
||||
! assembly function is being done.
|
||||
! lsub = 1 - no longer used
|
||||
! = 2 - beta*
|
||||
! = 3 - cons*
|
||||
! = 4 - ldef*
|
||||
! = 5 - posw*
|
||||
! = 6 - theta*
|
||||
! = 7 - tmarx*
|
||||
! = 8 - geom*
|
||||
! magnet control flag for magnetostatic analysis. input data.
|
||||
! ncycle cycle number. accumulated in osolty.f
|
||||
! note first time through oasemb.f , ncycle = 0.
|
||||
! newtnt control flag for permanent copy of newton.
|
||||
! newton iteration type. input data.
|
||||
! newton : = 1 full newton raphson
|
||||
! 2 modified newton raphson
|
||||
! 3 newton raphson with strain correct.
|
||||
! 4 direct substitution
|
||||
! 5 direct substitution followed by n.r.
|
||||
! 6 direct substitution with line search
|
||||
! 7 full newton raphson with secant initial stress
|
||||
! 8 secant method
|
||||
! 9 full newton raphson with line search
|
||||
! noshr control flag for calculation interlaminar shears for
|
||||
! elements 22,45, and 75. input data.
|
||||
!ees
|
||||
!
|
||||
! jactch = 1 or 2 if elements are activated or deactivated
|
||||
! = 3 if elements are adaptively remeshed or rezoned
|
||||
! = 0 normally / reset to 0 when assembly is done
|
||||
! ifricsh = 0 call to fricsh in otest not needed
|
||||
! = 1 call to fricsh (nodal friction) in otest needed
|
||||
! iremkin = 0 remove deactivated kinematic boundary conditions
|
||||
! immediately - only in new input format (this is default)
|
||||
! = 1 remove deactivated kinematic boundary conditions
|
||||
! gradually - only in new input format
|
||||
! iremfor = 0 remove force boundary conditions immediately -
|
||||
! only in new input format (this is default)
|
||||
! = 1 remove force boundary conditions gradually -
|
||||
! only in new input format (this is default)
|
||||
! ishearp set to 1 if shear panel elements are present in the model
|
||||
!
|
||||
! jspf = 0 not in spf loadcase
|
||||
! > 0 in spf loadcase (jspf=1 during first increment)
|
||||
! machining = 1 if the metal cutting feature is used, for memory allocation purpose
|
||||
! = 0 (default) if no metal cutting feature required
|
||||
!
|
||||
! jlshell = 1 if there is a shell element in the mesh
|
||||
! icompsol = 1 if there is a composite solid element in the mesh
|
||||
! iupblgfo = 1 if follower force for point loads
|
||||
! jcondir = 1 if contact priority option is used
|
||||
! nstcrp = 0 (default) steady state creep flag (undocumented feature.
|
||||
! if not 0, turns off special ncycle = 0 code in radial.f)
|
||||
! nactive = number of active passes, if =1 then it's not a coupled analysis
|
||||
! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref
|
||||
! icheckmpc = value of mpc-check parameter option
|
||||
! noline = set to 1 in osolty if no line seacrh should be done in ogetst
|
||||
! icuring = set to 1 if the curing is included for the heat transfer analysis.
|
||||
! ishrink = set to 1 if shrinkage strain is included for mechancial analysis.
|
||||
! ioffsflg = 1 for small displacement beam/shell offsets
|
||||
! = 2 for large displacement beam/shell offsets
|
||||
! isetoff = 0 - do not apply beam/shell offsets
|
||||
! = 1 - apply beam/shell offsets
|
||||
! ioffsetm = min. value of offset flag
|
||||
! iharmt = 1 global flag if a coupled analysis contains an harmonic pass
|
||||
! inc_incdat = flag to record increment number of a new loadcase in incdat.f
|
||||
! iautspc = flag for AutoSPC option
|
||||
! ibrake = brake squeal in this increment
|
||||
! icbush = set to 1 if cbush elements present in model
|
||||
! istream_input = set to 1 for streaming input calling Marc as library
|
||||
! iprsinp = set to 1 if pressure input, introduced so other variables
|
||||
! such as h could be a function of pressure
|
||||
! ivlsinp = set to 1 if velocity input, introduced so other variables
|
||||
! such as h could be a function of velocity
|
||||
! ipin_m = # of beam element with PIN flag
|
||||
! jgnstr_glb = global control over pre or fast integrated composite shells
|
||||
! imarc_return = Marc return flag for streaming input control
|
||||
! iqvcimp = if non-zero, then the number of QVECT boundary conditions
|
||||
! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered
|
||||
! istpnx = 1 if to stop at end of increment
|
||||
! imicro1 = 1 if micro1 interface is used
|
||||
! iaxisymm = set to 1 if axisymmetric analysis
|
||||
! jbreakglue = set to 1 if breaking glued option is used
|
||||
! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9)
|
||||
! jfastasm = 1 do fast assembly using SuperForm code
|
||||
! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated
|
||||
! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation
|
||||
! imixmeth = set=1 then use nonlinear mixture material - allocate memory
|
||||
! ielcmadyn = flag for magnetodynamics
|
||||
! 0 - electromagnetics using newmark beta
|
||||
! 1 - transient magnetics using backward euler
|
||||
! idinout = flag to control if inside out elements should be deactivated
|
||||
! igena_meth = 0 - generalized alpha parameters depend on whether or not contact
|
||||
! is flagged (dynamic,7)
|
||||
! 10 - generalized alpha parameters are optimized for a contact
|
||||
! analysis (dynamic,8)
|
||||
! 11 - generalized alpha parameters are optimized for an analysis
|
||||
! without contact (dynamic,8)
|
||||
! magf_meth = - Method to compute force in magnetostatic - structural
|
||||
! = 1 - Virtual work method based on finite difference for the force computation
|
||||
! = 2 - Maxwell stress tensor
|
||||
! = 3 - Virtual work method based on local derivative for the force computation
|
||||
! non_assumed = 1 no assumed strain formulation (forced)
|
||||
! iredoboudry set to 1 if contact boundary needs to be recalculated
|
||||
! ioffsz0 = 1 if composite are used with reference position.ne.0
|
||||
! icomplt = 1 global flag if a coupled analysis contains an complex pass
|
||||
! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural
|
||||
! one for magnetodynamic and the other for the remaining passes
|
||||
! iactrp = 1 in an analysis with global remeshing, include inactive
|
||||
! rigid bodies on post file
|
||||
! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass
|
||||
!
|
||||
! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading)
|
||||
! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb
|
||||
! iaem = 1 if marc is called from aem (0 - off - default)
|
||||
! icosim = 1 if marc is used in co-simulation software (ADAMS-MARC)
|
||||
! inodels = 1 nodal integration elements 239/240/241 present
|
||||
! nlharm = 0 harmonic subincrements are linear
|
||||
! = 1 harmonic subincrements are nonlinear
|
||||
! iampini = 0 amplitude of previous harmonic subinc is initial estimate (default)
|
||||
! = 1 zero amplitude is initial estimate
|
||||
! iphasetr = 1 phase transformation material model is used
|
||||
! iforminp flag indicating that contact is switched on via the CONTACT
|
||||
! option in the input file (as opposed to the case that contact
|
||||
! is switched on internally due to cyclic symmetry or model
|
||||
! section creation)
|
||||
! ispecerror = a+10*b (only for spectrum response analysis with missing mass option)
|
||||
! a=0 or a=1 (modal shape with non-zero shift)
|
||||
! b=0 or b=1 (recover with new assembly of stiffness matrix)
|
||||
! icsprg = set to 1 if spring elements present in model
|
||||
! imol Control flag for molecualr diffusion pass
|
||||
! imolt Permanent control flag for molecualr diffusion pass
|
||||
! Note in coupled analysis imolt will remain as one,
|
||||
! but imol will be zero in stress pass or thermal pass.
|
||||
! idatafit = run Marc to fit parameters
|
||||
! iharmpar = 1 if harmonic parameter option is used
|
||||
! inclcase load case increment use for cyclic plasticity data fitting
|
||||
! imultifreq flag to indicate how many harmonic magnetodynamic passes are computed in coupled
|
||||
! magnetodynamic/thermal(/structural) analyses.
|
||||
! 0 or 1 one pass 2 two passes 3 or more is not supported
|
||||
! init_elas use elastic stress-strain law as the material tangent for
|
||||
! the first cycle of an increment
|
||||
! ifatig = 1 stress-life fatigue
|
||||
! = 2 strain-life fatigue
|
||||
! iftgmat = 0 no fatigue material properties in the dat file
|
||||
! = 1 fatigue material properties in the dat file
|
||||
!
|
||||
!***********************************************************************
|
||||
!$omp threadprivate(/marc_concom/)
|
||||
!!
|
|
@ -0,0 +1,66 @@
|
|||
! common block definition file taken from respective MSC.Marc release and reformated to free format
|
||||
!***********************************************************************
|
||||
!
|
||||
! File: creeps.cmn
|
||||
!
|
||||
! MSC.Marc include file
|
||||
!
|
||||
real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b
|
||||
integer icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,&
|
||||
icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
|
||||
real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst
|
||||
real(pReal) fraction_donn,timinc_ol2
|
||||
!
|
||||
integer num_creepsr,num_creepsi,num_creeps2r
|
||||
parameter(num_creepsr=7)
|
||||
parameter(num_creepsi=17)
|
||||
parameter(num_creeps2r=6)
|
||||
common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,&
|
||||
icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
|
||||
common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst,fraction_donn,timinc_ol2
|
||||
!
|
||||
! cptim Total time at begining of increment.
|
||||
! timinc Incremental time for this step.
|
||||
! icfte Local copy number of slopes of creep strain rate function
|
||||
! versus temperature. Is -1 if exponent law used.
|
||||
! icfst Local copy number of slopes of creep strain rate function
|
||||
! versus equivalent stress. Is -1 if exponent law used.
|
||||
! icfeq Local copy number of slopes of creep strain rate function
|
||||
! versus equivalent strain. Is -1 if exponent law used.
|
||||
! icftm Local copy number of slopes of creep strain rate function
|
||||
! versus time. Is -1 if exponent law used.
|
||||
! icetem Element number that needs to be checked for creep convergence
|
||||
! or, if negative, the number of elements that need to
|
||||
! be checked. In the latter case the elements to check
|
||||
! are stored in ielcp.
|
||||
! mcreep Maximum nuber of iterations for explicit creep.
|
||||
! jcreep Counter of number of iterations for explicit creep
|
||||
! procedure. jcreep must be .le. mcreep
|
||||
! icpa Pointer to constant in creep strain rate expression.
|
||||
! icftmp Pointer to temperature dependent creep strain rate data.
|
||||
! icfstr Pointer to equivalent stress dependent creep strain rate data.
|
||||
! icfqcp Pointer to equivalent creep strain dependent creep strain
|
||||
! rate data.
|
||||
! icfcpm Pointer to equivalent creep strain rate dependent
|
||||
! creep strain rate data.
|
||||
! icrppr Permanent copy of icreep
|
||||
! icrcha Control flag for creep convergence checking , if set to
|
||||
! 1 then testing on absolute change in stress and creep
|
||||
! strain, not relative testing. Input data.
|
||||
! icpb Pointer to storage of material id cross reference numbers.
|
||||
! iicpmt
|
||||
! iicpa Pointer to constant in creep strain rate expression
|
||||
!
|
||||
! time_beg_lcase time at the beginning of the current load case
|
||||
! time_beg_inc time at the beginning of the current increment
|
||||
! fractol fraction of loadcase or increment time when we
|
||||
! consider it to be finished
|
||||
! time_beg_pst time corresponding to first increment to be
|
||||
! read in from thermal post file for auto step
|
||||
!
|
||||
! timinc_old Time step of the previous increment
|
||||
!
|
||||
!***********************************************************************
|
||||
!!$omp threadprivate(/marc_creeps/)
|
||||
!!$omp threadprivate(/marc_creeps2/)
|
||||
!!
|
|
@ -160,34 +160,31 @@ subroutine material_init(restart)
|
|||
|
||||
integer :: ph, myHomog
|
||||
class(tNode), pointer :: &
|
||||
debug_material, & ! pointer to material debug options
|
||||
phases, &
|
||||
material_homogenization
|
||||
character(len=pStringLen) :: sectionName
|
||||
|
||||
write(6,'(/,a)') ' <<<+- material init -+>>>'; flush(6)
|
||||
print'(/,a)', ' <<<+- material init -+>>>'; flush(6)
|
||||
|
||||
phases => material_root%get('phase')
|
||||
phases => config_material%get('phase')
|
||||
allocate(material_name_phase(phases%length))
|
||||
do ph = 1, phases%length
|
||||
write(sectionName,'(i0,a)') ph,'_'
|
||||
material_name_phase(ph) = trim(adjustl(sectionName))//phases%getKey(ph) !ToDO: No reason to do. Update damage tests
|
||||
enddo
|
||||
|
||||
material_homogenization => material_root%get('homogenization')
|
||||
material_homogenization => config_material%get('homogenization')
|
||||
allocate(material_name_homogenization(material_homogenization%length))
|
||||
do myHomog = 1, material_homogenization%length
|
||||
write(sectionName,'(i0,a)') myHomog,'_'
|
||||
material_name_homogenization(myHomog) = trim(adjustl(sectionName))//material_homogenization%getKey(myHomog)
|
||||
enddo
|
||||
|
||||
debug_material => debug_root%get('material',defaultVal=emptyList)
|
||||
call material_parseMicrostructure
|
||||
print*, ' Microstructure parsed'
|
||||
|
||||
call material_parseMicrostructure()
|
||||
if (debug_material%contains('basic')) write(6,'(a)') ' Microstructure parsed'; flush(6)
|
||||
|
||||
call material_parseHomogenization()
|
||||
if (debug_material%contains('basic')) write(6,'(a)') ' Homogenization parsed'; flush(6)
|
||||
call material_parseHomogenization
|
||||
print*, ' Homogenization parsed'
|
||||
|
||||
|
||||
if(homogenization_maxNgrains > size(material_phaseAt,1)) call IO_error(148)
|
||||
|
@ -242,7 +239,7 @@ subroutine material_parseHomogenization
|
|||
|
||||
integer :: h
|
||||
|
||||
material_homogenization => material_root%get('homogenization')
|
||||
material_homogenization => config_material%get('homogenization')
|
||||
material_Nhomogenization = material_homogenization%length
|
||||
|
||||
allocate(homogenization_type(material_Nhomogenization), source=HOMOGENIZATION_undefined_ID)
|
||||
|
@ -347,9 +344,9 @@ subroutine material_parseMicrostructure
|
|||
|
||||
real(pReal), dimension(4) :: phase_orientation
|
||||
|
||||
homogenization => material_root%get('homogenization')
|
||||
phases => material_root%get('phase')
|
||||
microstructure => material_root%get('microstructure')
|
||||
homogenization => config_material%get('homogenization')
|
||||
phases => config_material%get('phase')
|
||||
microstructure => config_material%get('microstructure')
|
||||
allocate(microstructure_Nconstituents(microstructure%length), source = 0)
|
||||
|
||||
if(any(discretization_microstructureAt > microstructure%length)) &
|
||||
|
|
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue