Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development

This commit is contained in:
Tias Maiti 2017-09-23 05:54:08 -07:00
commit 826ce4a7eb
41 changed files with 38014 additions and 48 deletions

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@ -1 +1 @@
v2.0.1-907-g546b40b v2.0.1-924-ge1bfde9

8
env/DAMASK.zsh vendored
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@ -23,15 +23,15 @@ source $DAMASK_ROOT/CONFIG
unset -f set unset -f set
# add DAMASK_BIN if present # add DAMASK_BIN if present
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH [ "x$DAMASK_BIN != x" ] && PATH=$DAMASK_BIN:$PATH
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null) SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
[ "x$SOLVER" == "x" ] && SOLVER='Not found!' [ "x$SOLVER == x" ] && SOLVER='Not found!'
PROCESSING=$(type -p postResults || true 2>/dev/null) PROCESSING=$(type -p postResults || true 2>/dev/null)
[ "x$PROCESSING" == "x" ] && PROCESSING='Not found!' [ "x$PROCESSING == x" ] && PROCESSING='Not found!'
[ "x$DAMASK_NUM_THREADS" == "x" ] && DAMASK_NUM_THREADS=1 [ "x$DAMASK_NUM_THREADS == x" ] && DAMASK_NUM_THREADS=1
# currently, there is no information that unlimited causes problems # currently, there is no information that unlimited causes problems
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it # still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it

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@ -0,0 +1,52 @@
#!/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"
$DFORTRAN $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

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@ -0,0 +1,52 @@
#!/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"
$DFORTHIGH $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

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@ -0,0 +1,52 @@
#!/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

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@ -0,0 +1,52 @@
#!/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"
$DFORTLOW $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

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@ -0,0 +1,52 @@
#!/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

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@ -0,0 +1,52 @@
#!/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

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@ -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

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@ -0,0 +1,783 @@
#
# General definitions for the Marc 2017 version
#
# EM64T
#
# Linux RedHat 6.7 / RedHat 7.1 / SuSE 11 SP3
#
# 64 bit MPI version
#
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
#
# Intel(R) C Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# 1) HP MPI 2.3
# To check the mpi version, type:
# mpirun -version
# 2) Intel MPI 5.1.3
# 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_2016/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:$PATH"
else
FCOMPROOT=
fi
else
FCOMPROOT=
fi
# settings for MKL
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
#
# settings for Metis
#
METIS="-I$METIS_SOURCE/include"
METISLIBS="$MARC_LIB/metis.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=hpmpi
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 "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
#BCSGPUSOLVER=NONE
BCSGPUSOLVER=BCSGPU
# Edit following lines to set the openssl library
if test "$OPENSSL" != "NONE"
then
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
fi
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
SOLVERFLAGS=
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
BCS_DIR=bcsgpusolver
export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
else
BCS_DIR=bcssolver
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
FCOMPMPI=mpif90
export MPI_ROOT=$MARC_HPMPI
export MPI_REMSH=$RSH
export MPI_F77=$FCOMP
ARCHITECTURE=linux_amd64
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
MPI_CLEAN=
export MPI_EPATH=$MARC_BIN
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
# Below line is moved in run_marc file
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
if test -n "$MSC_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
fi
if test -n "$LM_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
fi
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
RUN_JOB0=
fi
if test $MPITYPE = intelmpi
then
INTELMPI_VERSION=HYDRA
FCOMPMPI=mpiifort
MPI_ROOT=$MARC_INTELMPI
DDM="-I${MPI_ROOT}/include64 -DDDM"
PATH=$MPI_ROOT/bin64:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
else
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
I_MPI_PIN_DOMAIN=node
export I_MPI_PIN_DOMAIN
fi
else
MPI_ROOT=$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 "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
MARC_DLL=NONE
fi
#
# define Fortran and C compile syntax
#
if test "$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="$SOLVERFLAGS -DMARC_DLL"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$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="-real-size 64 -integer-size 32"
I8DEFINES="-DFLOAT=8 -DINT=4"
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
MTHREAD=OPENMP
if test "$MARC_OPENMP" = "NONE" ; then
MTHREAD=NONE
fi
#MTHREAD=NONE
if test "$_OEM_NASTRAN" -ne 0
then
MTHREAD=NONE
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 $I8CDEFINES"
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
if test "$MARCDEBUG" = "ON"
then
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
fi
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
CC_CASI="$CC -std=c99 $I8CASIDEFS"
CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
if test "$MARCCODECOV" = "ON"
then
PROFILE="-prof-gen=srcpos"
fi
if test "$MARCCODEPROF" = "ON"
then
PROFILE=" $PROFILE -pg"
fi
FORT_OPT="-c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -mp1 -WB -fp-model source"
if test "$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=" $FORT_OPT -save -zero"
fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/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 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/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
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/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 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -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=2016 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -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=2016 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
-qopenmp -qopenmp-threadprivate=compat\
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
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"
FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -DMPI_I8 -nofor_main"
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
CCMUMPS="$CCMUMPS -DINTSIZE64"
fi
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
NVCCLIB="ar rvl"
NVCCLD=icc
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORT90HIGH="$BCSFORTHIGH"
if test "$MARCDEBUG" = "ON"
then
BCSFORTRAN=$BCSFORTLOW
BCSFORTHIGH=$BCSFORTLOW
BCSFORT90HIGH=$BCSFORTLOW
fi
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/include64 -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin64/$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"
CC_CASI="$CC_CASI -fPIC"
CCLOW_CASI="$CCLOW_CASI -fPIC"
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$MARC_CASI/casilib.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$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="$MARC_LIB/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
if test "$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 $MPITYPE = hpmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
else
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
MARCCUDALIBS=$MARCCUDALIBS1
CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
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_core.a $MARC_MKL/libmkl_intel_thread.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_core.a $MARC_MKL/libmkl_intel_thread.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 $KDTREE2_LIB/kdtree2.a "
SOLVERLIBS_DLL=${SOLVERLIBS}
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 $SFMATDIR/sfclib.a "
else
SFLIB=" "
fi
OPENMP="-qopenmp"
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}/lib64 -lmpi_mt -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
LOW_OPT_CODES_CASI=""
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 "
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
MAXNUM=1000000

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@ -0,0 +1,726 @@
#
# General definitions for the Marc 2017 version
#
# EM64T
#
# Linux RedHat 6.7 / RedHat 7.1 / SuSE 11 SP3
#
# 64 bit MPI version
#
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
#
# Intel(R) C Intel(R) 64 Compiler XE for applications
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
#
# To check the O/S level, type:
# uname -a
#
# Distributed parallel MPI libraries:
# 1) HP MPI 2.3
# To check the mpi version, type:
# mpirun -version
# 2) Intel MPI 5.1.3
# 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_2016/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:$PATH"
else
FCOMPROOT=
fi
else
FCOMPROOT=
fi
# settings for MKL
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
#
# settings for Metis
#
METIS="-I$METIS_SOURCE/include"
METISLIBS="$MARC_LIB/metis.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=hpmpi
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 "$_OEM_NASTRAN" -ne 0
then
MPITYPE=none
fi
# Edit following lines to build with GPGPU version of BCS Solver for
# NVIDIA platforms
#BCSGPUSOLVER=NONE
BCSGPUSOLVER=BCSGPU
# Edit following lines to set the openssl library
if test "$OPENSSL" != "NONE"
then
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
fi
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
SOLVERFLAGS=
if test "$BCSGPUSOLVER" = BCSGPU
then
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
BCS_DIR=bcsgpusolver
export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
else
BCS_DIR=bcssolver
fi
#
# settings for MPI
#
DDM=
if test $MPITYPE != none
then
if test $MPITYPE = hpmpi
then
FCOMPMPI=mpif90
export MPI_ROOT=$MARC_HPMPI
export MPI_REMSH=$RSH
export MPI_F77=$FCOMP
ARCHITECTURE=linux_amd64
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
MPI_CLEAN=
export MPI_EPATH=$MARC_BIN
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
# Below line is moved in run_marc file
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
if test -n "$MSC_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
fi
if test -n "$LM_LICENSE_FILE"
then
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
fi
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
RUN_JOB0=
fi
if test $MPITYPE = intelmpi
then
INTELMPI_VERSION=HYDRA
FCOMPMPI=mpiifort
MPI_ROOT=$MARC_INTELMPI
DDM="-I${MPI_ROOT}/include64 -DDDM"
PATH=$MPI_ROOT/bin64:$PATH
export PATH
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
if test $INTELMPI_VERSION = HYDRA
then
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
else
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
fi
RUN_JOB0=
MPI_CLEAN=
MPI_EPATH=$MARC_BIN
MPIR_HOME=$MPI_ROOT
MPICH_F77=$FCOMP
MPICH_F77LINKER=$FCOMP
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
I_MPI_PIN_DOMAIN=node
export I_MPI_PIN_DOMAIN
fi
else
MPI_ROOT=$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 "$_OEM_NASTRAN" -ne 0
then
VKISOLVER=NONE
CASISOLVER=NONE
MF2SOLVER=NONE
INTELSOLVER=NONE
MUMPSSOLVER=NONE
BCSGPUSOLVER=NONE
MARC_DLL=NONE
fi
#
# define Fortran and C compile syntax
#
if test "$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="$SOLVERFLAGS -DMARC_DLL"
fi
LINK_OPT=
DEBUG_OPT=
C_DEBUG_OPT=
#Uncomment following line to build Marc in debuggable mode
MARCDEBUG=
#MARCDEBUG="ON"
if test "$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=
I8CASIDEFS=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
MTHREAD=OPENMP
if test "$MARC_OPENMP" = "NONE" ; then
MTHREAD=NONE
fi
#MTHREAD=NONE
if test "$_OEM_NASTRAN" -ne 0
then
MTHREAD=NONE
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 $I8CDEFINES"
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
if test "$_OEM_NASTRAN" -ne 0
then
CINCL="$CINCL -I../../include"
fi
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
if test "$MARCDEBUG" = "ON"
then
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
fi
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
CCT="$CC"
CCTLOW="$CCLOW"
CCTHIGH="$CCHIGH"
CC_CASI="$CC -std=c99 $I8CASIDEFS"
CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
#PROFILE="-Mprof=func"
#PROFILE="-Mprof=lines"
#PROFILE="-Mprof=func,mpi"
PROFILE=
if test "$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=" $FORT_OPT -save -zero"
fi
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/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 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/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 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/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"
FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -DMPI_I8 -nofor_main"
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
if test "$MARC_INTEGER_SIZE" = "i8" ; then
CCMUMPS="$CCMUMPS -DINTSIZE64"
fi
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
NVCCLIB="ar rvl"
NVCCLD=icc
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
BCSFORT90HIGH="$BCSFORTHIGH"
if test "$MARCDEBUG" = "ON"
then
BCSFORTRAN=$BCSFORTLOW
BCSFORTHIGH=$BCSFORTLOW
BCSFORT90HIGH=$BCSFORTLOW
fi
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/include64 -I$VT_ROOT/include"
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
# LOADT="$MPI_ROOT/bin64/$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"
CC_CASI="$CC_CASI -fPIC"
CCLOW_CASI="$CCLOW_CASI -fPIC"
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
LINK_MARC_DLL="-shared -fPIC"
LOAD_DLL=$LOAD
LOADT_DLL=$LOADT
EXT_DLL="so"
fi
XLIBS="-L/usr/X11/lib -lX11 "
#
# define archive and ranlib syntax
#
ARC="ar rvl"
ARD="ar dvl"
ARX="ar xl"
RAN=""
#
# choose which libraries you want to use ( e.g. blas )
#
if test "$VKISOLVER" = VKI
then
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
else
VKISOLVERLIBS=
fi
if test "$CASISOLVER" = CASI
then
CASISOLVERLIBS="$MARC_CASI/casilib.a"
else
CASISOLVERLIBS=
fi
MF2SOLVERLIBS=
if test "$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="$MARC_LIB/libmumps.a"
if test $MPITYPE = none
then
MUMPSSOLVERLIBS2=
echo hello > /dev/null
fi
if test $MPITYPE = intelmpi
then
if test "$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 $MPITYPE = hpmpi
then
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
else
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
fi
fi
else
MUMPSSOLVERLIBS=
MUMPSSOLVERLIBS2=
fi
if test "$BCSGPUSOLVER" = BCSGPU
then
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
MARCCUDALIBS=$MARCCUDALIBS1
CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
else
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_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 $MARC_MKL/libmkl_blacs_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 $KDTREE2_LIB/kdtree2.a "
SOLVERLIBS_DLL=${SOLVERLIBS}
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 $SFMATDIR/sfclib.a "
else
SFLIB=" "
fi
OPENMP="-qopenmp"
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}/lib64 -lmpi_mt -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
LOW_OPT_CODES_CASI=""
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 "
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
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

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

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@ -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% $*

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@ -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 $*

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@ -0,0 +1,8 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

View File

@ -0,0 +1,8 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

View File

@ -0,0 +1,8 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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@ -0,0 +1,8 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

View File

@ -0,0 +1,8 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

View File

@ -0,0 +1,8 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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@ -0,0 +1,8 @@
#!/bin/sh
if [ "$1" = "" ]; then
echo "usage: $0 job_name"
exit 1
fi
echo STOP > $1.cnt

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@ -0,0 +1,186 @@
#!/bin/sh
#
# The exit status of this script is read by Mentat.
# Normal exit status is 0.
#
DIR=/opt/msc/marc2017
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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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 -autorst $autorst \
$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

View File

@ -0,0 +1,187 @@
#!/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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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 -autorst $autorst \
$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

View File

@ -0,0 +1,187 @@
#!/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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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 -autorst $autorst \
$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

View File

@ -0,0 +1,187 @@
#!/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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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 -autorst $autorst \
$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

View File

@ -0,0 +1,187 @@
#!/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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

View File

@ -0,0 +1,187 @@
#!/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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

View File

@ -0,0 +1,187 @@
#!/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
autorst=$4
copy_datfile="-ci $5"
copy_postfile="-cr $6"
scr_dir=$7
dcoup=$8
assem_recov_nthread=$9
shift 9 # cannot use $10, $11, ...
nthread=$1
nsolver=$2
mode=$3
gpu=$4
if [ "$slv" != "" -a "$slv" != "marc" ]; then
slv="-iam sfm"
else
slv=""
fi
if [ "$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_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$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

424
lib/MarcInclude/concom2017 Normal file
View File

@ -0,0 +1,424 @@
! common block definition file taken from respective MSC.Marc release and reformated to free format
!***********************************************************************
!
! File: concom.cmn
!
! MSC.Marc include file
!
integer(pInt) &
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
dimension :: ideva(60)
integer(pInt) num_concom
parameter(num_concom=249)
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
!
! 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)
!
!***********************************************************************
!$omp threadprivate(/marc_concom/)
!!

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@ -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(pInt) 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(pInt) 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/)
!!

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@ -1557,13 +1557,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (400_pInt) case (400_pInt)
msg = 'matrix inversion error' msg = 'matrix inversion error'
case (401_pInt) case (401_pInt)
msg = 'math_check: quat -> axisAngle -> quat failed' msg = 'math_check failed'
case (402_pInt)
msg = 'math_check: quat -> R -> quat failed'
case (403_pInt)
msg = 'math_check: quat -> euler -> quat failed'
case (404_pInt)
msg = 'math_check: R -> euler -> R failed'
case (405_pInt) case (405_pInt)
msg = 'I_TO_HALTON-error: an input base BASE is <= 1' msg = 'I_TO_HALTON-error: an input base BASE is <= 1'
case (406_pInt) case (406_pInt)
@ -1587,7 +1581,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (601_pInt) case (601_pInt)
msg = 'Ping-Pong needed when using non-local plasticity' msg = 'Ping-Pong needed when using non-local plasticity'
case (602_pInt) case (602_pInt)
msg = 'invalid element/IP/component (grain) selected for debug' msg = 'invalid selection for debug'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! DAMASK_marc errors ! DAMASK_marc errors

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@ -471,7 +471,7 @@ subroutine homogenization_init
flush(6) flush(6)
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) & if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
call IO_error(602_pInt,ext_msg='component (grain)') call IO_error(602_pInt,ext_msg='component (grain)', el=debug_e, g=debug_g)
end subroutine homogenization_init end subroutine homogenization_init

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@ -3,7 +3,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Mathematical library, including random number generation and tensor represenations !> @brief Mathematical library, including random number generation and tensor representations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module math module math
use prec, only: & use prec, only: &
@ -173,22 +173,16 @@ contains
subroutine math_init subroutine math_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: tol_math_check use numerics, only: fixedSeed
use numerics, only: & use IO, only: IO_timeStamp
fixedSeed
use IO, only: IO_error, IO_timeStamp
implicit none implicit none
integer(pInt) :: i integer(pInt) :: i
real(pReal), dimension(3,3) :: R,R2 real(pReal), dimension(4) :: randTest
real(pReal), dimension(3) :: Eulers,v
real(pReal), dimension(4) :: q,q2,axisangle,randTest
! the following variables are system dependend and shound NOT be pInt ! the following variables are system dependend and shound NOT be pInt
integer :: randSize ! gfortran requires a variable length to compile integer :: randSize ! gfortran requires a variable length to compile
integer, dimension(:), allocatable :: randInit ! if recalculations of former randomness (with given seed) is necessary integer, dimension(:), allocatable :: randInit ! if recalculations of former randomness (with given seed) is necessary
! comment the first random_seed call out, set randSize to 1, and use ifort ! comment the first random_seed call out, set randSize to 1, and use ifort
character(len=64) :: error_msg
write(6,'(/,a)') ' <<<+- math init -+>>>' write(6,'(/,a)') ' <<<+- math init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
@ -211,7 +205,7 @@ subroutine math_init
enddo enddo
write(6,'(a,I2)') ' size of random seed: ', randSize write(6,'(a,I2)') ' size of random seed: ', randSize
do i =1, randSize do i = 1_pInt,randSize
write(6,'(a,I2,I14)') ' value of random seed: ', i, randInit(i) write(6,'(a,I2,I14)') ' value of random seed: ', i, randInit(i)
enddo enddo
write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest
@ -221,6 +215,25 @@ subroutine math_init
call halton_seed_set(int(randInit(1), pInt)) call halton_seed_set(int(randInit(1), pInt))
call halton_ndim_set(3_pInt) call halton_ndim_set(3_pInt)
call math_check()
end subroutine math_init
!--------------------------------------------------------------------------------------------------
!> @brief check correctness of (some) math functions
!--------------------------------------------------------------------------------------------------
subroutine math_check
use prec, only: tol_math_check
use IO, only: IO_error
implicit none
character(len=64) :: error_msg
real(pReal), dimension(3,3) :: R,R2
real(pReal), dimension(3) :: Eulers,v
real(pReal), dimension(4) :: q,q2,axisangle
! --- check rotation dictionary --- ! --- check rotation dictionary ---
q = math_qRand() ! random quaternion q = math_qRand() ! random quaternion
@ -230,7 +243,8 @@ subroutine math_init
q2 = math_axisAngleToQ(axisangle(1:3),axisangle(4)) q2 = math_axisAngleToQ(axisangle(1:3),axisangle(4))
if ( any(abs( q-q2) > tol_math_check) .and. & if ( any(abs( q-q2) > tol_math_check) .and. &
any(abs(-q-q2) > tol_math_check) ) then any(abs(-q-q2) > tol_math_check) ) then
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2))) write (error_msg, '(a,e14.6)' ) &
'quat -> axisAngle -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
call IO_error(401_pInt,ext_msg=error_msg) call IO_error(401_pInt,ext_msg=error_msg)
endif endif
@ -239,8 +253,9 @@ subroutine math_init
q2 = math_RtoQ(R) q2 = math_RtoQ(R)
if ( any(abs( q-q2) > tol_math_check) .and. & if ( any(abs( q-q2) > tol_math_check) .and. &
any(abs(-q-q2) > tol_math_check) ) then any(abs(-q-q2) > tol_math_check) ) then
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2))) write (error_msg, '(a,e14.6)' ) &
call IO_error(402_pInt,ext_msg=error_msg) 'quat -> R -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
call IO_error(401_pInt,ext_msg=error_msg)
endif endif
! +++ q -> euler -> q +++ ! +++ q -> euler -> q +++
@ -248,28 +263,46 @@ subroutine math_init
q2 = math_EulerToQ(Eulers) q2 = math_EulerToQ(Eulers)
if ( any(abs( q-q2) > tol_math_check) .and. & if ( any(abs( q-q2) > tol_math_check) .and. &
any(abs(-q-q2) > tol_math_check) ) then any(abs(-q-q2) > tol_math_check) ) then
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2))) write (error_msg, '(a,e14.6)' ) &
call IO_error(403_pInt,ext_msg=error_msg) 'quat -> euler -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
call IO_error(401_pInt,ext_msg=error_msg)
endif endif
! +++ R -> euler -> R +++ ! +++ R -> euler -> R +++
Eulers = math_RtoEuler(R) Eulers = math_RtoEuler(R)
R2 = math_EulerToR(Eulers) R2 = math_EulerToR(Eulers)
if ( any(abs( R-R2) > tol_math_check) ) then if ( any(abs( R-R2) > tol_math_check) ) then
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',maxval(abs( R-R2)) write (error_msg, '(a,e14.6)' ) &
call IO_error(404_pInt,ext_msg=error_msg) 'R -> euler -> R maximum deviation ',maxval(abs( R-R2))
call IO_error(401_pInt,ext_msg=error_msg)
endif endif
! +++ check rotation sense of q and R +++ ! +++ check rotation sense of q and R +++
q = math_qRand() ! random quaternion
call halton(3_pInt,v) ! random vector call halton(3_pInt,v) ! random vector
R = math_qToR(q) R = math_qToR(q)
if (any(abs(math_mul33x3(R,v) - math_qRot(q,v)) > tol_math_check)) then if (any(abs(math_mul33x3(R,v) - math_qRot(q,v)) > tol_math_check)) then
write(6,'(a,4(f8.3,1x))') 'q',q write (error_msg, '(a)' ) 'R(q)*v has different sense than q*v'
call IO_error(409_pInt) call IO_error(401_pInt,ext_msg=error_msg)
endif endif
end subroutine math_init ! +++ check vector expansion +++
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,3.0_pReal,3.0_pReal,3.0_pReal] - &
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1_pInt,2_pInt,3_pInt,0_pInt])) > tol_math_check)) then
write (error_msg, '(a)' ) 'math_expand [1,2,3] by [1,2,3,0] => [1,2,2,3,3,3]'
call IO_error(401_pInt,ext_msg=error_msg)
endif
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal] - &
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1_pInt,2_pInt])) > tol_math_check)) then
write (error_msg, '(a)' ) 'math_expand [1,2,3] by [1,2] => [1,2,2]'
call IO_error(401_pInt,ext_msg=error_msg)
endif
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal] - &
math_expand([1.0_pReal,2.0_pReal],[1_pInt,2_pInt,3_pInt])) > tol_math_check)) then
write (error_msg, '(a)' ) 'math_expand [1,2] by [1,2,3] => [1,2,2,1,1,1]'
call IO_error(401_pInt,ext_msg=error_msg)
endif
end subroutine math_check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -334,6 +367,26 @@ recursive subroutine math_qsort(a, istart, iend)
end subroutine math_qsort end subroutine math_qsort
!--------------------------------------------------------------------------------------------------
!> @brief vector expansion
!> @details takes a set of numbers (a,b,c,...) and corresponding multiples (x,y,z,...)
!> to return a vector of x times a, y times b, z times c, ...
!--------------------------------------------------------------------------------------------------
pure function math_expand(what,how)
implicit none
real(pReal), dimension(:), intent(in) :: what
integer(pInt), dimension(:), intent(in) :: how
real(pReal), dimension(sum(how)) :: math_expand
integer(pInt) :: i
do i = 1_pInt, size(how)
math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt)
enddo
end function math_expand
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief range of integers starting at one !> @brief range of integers starting at one
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -648,22 +701,20 @@ end function math_mul66x6
pure function math_exp33(A,n) pure function math_exp33(A,n)
implicit none implicit none
integer(pInt) :: i,order integer(pInt) :: i
integer(pInt), intent(in), optional :: n integer(pInt), intent(in), optional :: n
real(pReal), dimension(3,3), intent(in) :: A real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3,3) :: B,math_exp33 real(pReal), dimension(3,3) :: B, math_exp33
real(pReal) :: invfac real(pReal) :: invFac
order = merge(n,5_pInt,present(n))
B = math_I3 ! init B = math_I3 ! init
invfac = 1.0_pReal ! 0! invFac = 1.0_pReal ! 0!
math_exp33 = B ! A^0 = eye2 math_exp33 = B ! A^0 = eye2
do i = 1_pInt,n do i = 1_pInt, merge(n,5_pInt,present(n))
invfac = invfac/real(i,pReal) ! invfac = 1/i! invFac = invFac/real(i,pReal) ! invfac = 1/i!
B = math_mul33x33(B,A) B = math_mul33x33(B,A)
math_exp33 = math_exp33 + invfac*B ! exp = SUM (A^i)/i! math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/i!
enddo enddo
end function math_exp33 end function math_exp33
@ -972,7 +1023,7 @@ real(pReal) pure function math_detSym33(m)
real(pReal), dimension(3,3), intent(in) :: m real(pReal), dimension(3,3), intent(in) :: m
math_detSym33 = -(m(1,1)*m(2,3)**2_pInt + m(2,2)*m(1,3)**2_pInt + m(3,3)*m(1,2)**2_pInt) & math_detSym33 = -(m(1,1)*m(2,3)**2_pInt + m(2,2)*m(1,3)**2_pInt + m(3,3)*m(1,2)**2_pInt) &
+ m(1,1)*m(2,2)*m(3,3) - 2.0_pReal * m(1,2)*m(1,3)*m(2,3) + m(1,1)*m(2,2)*m(3,3) + 2.0_pReal * m(1,2)*m(1,3)*m(2,3)
end function math_detSym33 end function math_detSym33
@ -1962,6 +2013,7 @@ subroutine math_eigenValuesVectorsSym33(m,values,vectors)
! Calculate third eigenvector according to v[2] = v[0] x v[1] ! Calculate third eigenvector according to v[2] = v[0] x v[1]
vectors(1:3,3) = math_crossproduct(vectors(1:3,1),vectors(1:3,2)) vectors(1:3,3) = math_crossproduct(vectors(1:3,1),vectors(1:3,2))
end subroutine math_eigenValuesVectorsSym33 end subroutine math_eigenValuesVectorsSym33
@ -1984,7 +2036,7 @@ function math_eigenvectorBasisSym(m)
do i=1_pInt, size(m,1) do i=1_pInt, size(m,1)
math_eigenvectorBasisSym = math_eigenvectorBasisSym & math_eigenvectorBasisSym = math_eigenvectorBasisSym &
+ sqrt(values(i)) * math_tensorproduct(vectors(:,i),vectors(:,i)) + sqrt(values(i)) * math_tensorproduct(vectors(:,i),vectors(:,i))
enddo enddo
end function math_eigenvectorBasisSym end function math_eigenvectorBasisSym
@ -2137,6 +2189,7 @@ function math_eigenvaluesSym33(m)
cos((phi+4.0_pReal*PI)/3.0_pReal) & cos((phi+4.0_pReal*PI)/3.0_pReal) &
] + invariants(1)/3.0_pReal ] + invariants(1)/3.0_pReal
endif endif
end function math_eigenvaluesSym33 end function math_eigenvaluesSym33