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DAMASK_EICMD
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Merge branch 'development' into HMS

This commit is contained in:
Fengbo Han 2017-10-24 11:24:54 +02:00
parent 82758bd90f 40bbb9ddb2
commit d599aec37f
133 changed files with 39501 additions and 1066 deletions
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2
DAMASK_env.csh
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@ -1 +1 @@
./env/DAMASK.csh
env/DAMASK.csh

2
DAMASK_env.sh
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@ -1 +1 @@
./env/DAMASK.sh
env/DAMASK.sh

2
DAMASK_env.zsh
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@ -1 +1 @@
./env/DAMASK.zsh
env/DAMASK.zsh

99
DAMASK_prerequisites.sh Executable file
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@ -0,0 +1,99 @@
#!/usr/bin/env bash
OUTFILE="system_report.txt"
echo generating $OUTFILE
echo date +"%m-%d-%y" >$OUTFILE
# redirect STDOUT and STDERR to logfile
# https://stackoverflow.com/questions/11229385/redirect-all-output-in-a-bash-script-when-using-set-x^
exec > $OUTFILE 2>&1
# directory, file is not a symlink by definition
# https://stackoverflow.com/questions/59895/getting-the-source-directory-of-a-bash-script-from-within
DAMASK_ROOT="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
echo ==============================================================================================
echo DAMASK settings
echo ==============================================================================================
echo DAMASK_ROOT:
echo $DAMASK_ROOT
echo
echo Version:
cat VERSION
echo
echo Settings in CONFIG:
cat CONFIG
echo
echo ==============================================================================================
echo System
echo ==============================================================================================
uname -a
echo
echo ==============================================================================================
echo Python
echo ==============================================================================================
DEFAULT_PYTHON=python2.7
for executable in python python2 python3 python2.7; do
if [[ "$(which $executable)x" != "x" ]]; then
echo $executable version: $($executable --version 2>&1)
else
echo $executable does not exist
fi
done
echo Location of $DEFAULT_PYTHON: $(ls -la $(which $DEFAULT_PYTHON))
echo
for module in numpy scipy;do
echo ----------------------------------------------------------------------------------------------
echo $module
echo ----------------------------------------------------------------------------------------------
$DEFAULT_PYTHON -c "import $module; \
print('Version: {}'.format($module.__version__)); \
print('Location: {}'.format($module.__file__))"
done
echo ----------------------------------------------------------------------------------------------
echo vtk
echo ----------------------------------------------------------------------------------------------
$DEFAULT_PYTHON -c "import vtk; \
print('Version: {}'.format(vtk.vtkVersion.GetVTKVersion())); \
print('Location: {}'.format(vtk.__file__))"
echo ----------------------------------------------------------------------------------------------
echo h5py
echo ----------------------------------------------------------------------------------------------
$DEFAULT_PYTHON -c "import h5py; \
print('Version: {}'.format(h5py.version.version)); \
print('Location: {}'.format(h5py.__file__))"
echo
echo ==============================================================================================
echo GCC
echo ==============================================================================================
for executable in gcc g++ gfortran ;do
if [[ "$(which $executable)x" != "x" ]]; then
echo $(which $executable) version: $($executable --version 2>&1)
else
echo $executable does not exist
fi
done
echo
echo ==============================================================================================
echo Intel Compiler Suite
echo ==============================================================================================
for executable in icc icpc ifort ;do
if [[ "$(which $executable)x" != "x" ]]; then
echo $(which $executable) version: $($executable --version 2>&1)
else
echo $executable does not exist
fi
done
echo
echo ==============================================================================================
echo MPI Wrappers
echo ==============================================================================================
for executable in mpicc mpiCC mpicxx mpicxx mpifort mpif90 mpif77; do
if [[ "$(which $executable)x" != "x" ]]; then
echo $(which $executable) version: $($executable --show 2>&1)
else
echo $executable does not exist
fi
done

2
PRIVATE

@ -1 +1 @@
Subproject commit 057371b82e3f5e880271b9631ace46c54280a753
Subproject commit 55a263fc30c40c16ef337be050f8901dd2747390

2
VERSION
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@ -1 +1 @@
v2.0.1-805-gdc3eda3
v2.0.1-960-geddc2a6

14
env/DAMASK.csh vendored
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@ -26,15 +26,11 @@ if ( "x$DAMASK_NUM_THREADS" == "x" ) then
set DAMASK_NUM_THREADS=1
endif
# according to http://software.intel.com/en-us/forums/topic/501500
# this seems to make sense for the stack size
if ( `which free` != "free: Command not found." ) then
set freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
set heap=` expr $freeMem / 2`
set stack=`expr $freeMem / $DAMASK_NUM_THREADS / 2`
# http://superuser.com/questions/220059/what-parameters-has-ulimit
limit datasize $heap # maximum heap size (kB)
limit stacksize $stack # maximum stack size (kB)
# currently, there is no information that unlimited causes problems
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
# http://superuser.com/questions/220059/what-parameters-has-ulimit
limit datasize unlimited # maximum heap size (kB)
limit stacksize unlimited # maximum stack size (kB)
endif
if ( `limit | grep memoryuse` != "" ) then
limit memoryuse unlimited # maximum physical memory size

53
env/DAMASK.sh vendored
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@ -1,9 +1,16 @@
# sets up an environment for DAMASK on bash
# usage: source DAMASK.sh
function canonicalPath {
python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1
}
function blink {
echo -e "\033[2;5m$1\033[0m"
}
if [ "$OSTYPE" == "linux-gnu" ] || [ "$OSTYPE" == 'linux' ]; then
DAMASK_ROOT=$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$(dirname $BASH_SOURCE)")
DAMASK_ROOT=$(dirname $BASH_SOURCE)
else
[[ "${BASH_SOURCE::1}" == "/" ]] && BASE="" || BASE="$(pwd)/"
STAT=$(stat "$(dirname $BASE$BASH_SOURCE)")
@ -12,9 +19,11 @@ fi
# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.sh to $DAMASK_ROOT/env/DAMASK.sh)
if [ ${BASH_SOURCE##*/} == "DAMASK.sh" ]; then
DAMASK_ROOT=$DAMASK_ROOT'/..'
DAMASK_ROOT="$DAMASK_ROOT/.."
fi
DAMASK_ROOT=$(canonicalPath $DAMASK_ROOT)
# shorthand command to change to DAMASK_ROOT directory
eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
@ -28,27 +37,21 @@ unset -f set
# add DAMASK_BIN if present
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
[ "x$SOLVER" == "x" ] && SOLVER='Not found!'
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
[ "x$SOLVER" == "x" ] && SOLVER=$(blink 'Not found!')
PROCESSING=$(which postResults || true 2>/dev/null)
[ "x$PROCESSING" == "x" ] && PROCESSING='Not found!'
PROCESSING=$(type -p postResults || true 2>/dev/null)
[ "x$PROCESSING" == "x" ] && PROCESSING=$(blink 'Not found!')
[ "x$DAMASK_NUM_THREADS" == "x" ] && DAMASK_NUM_THREADS=1
# according to http://software.intel.com/en-us/forums/topic/501500
# this seems to make sense for the stack size
FREE=$(type -p free 2>/dev/null)
if [ "x$FREE" != "x" ]; then
freeMem=$(free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}')
# http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -d unlimited 2>/dev/null \
|| ulimit -d $(expr $freeMem / 2) 2>/dev/null # maximum heap size (kB)
ulimit -s unlimited 2>/dev/null \
|| ulimit -s $(expr $freeMem / $DAMASK_NUM_THREADS / 2) 2>/dev/null # maximum stack size (kB)
fi
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size
# currently, there is no information that unlimited causes problems
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
# http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size
# disable output in case of scp
if [ ! -z "$PS1" ]; then
@ -61,14 +64,16 @@ if [ ! -z "$PS1" ]; then
echo "DAMASK $DAMASK_ROOT"
echo "Spectral Solver $SOLVER"
echo "Post Processing $PROCESSING"
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
if [ "x$PETSC_DIR" != "x" ]; then
echo "PETSc location $PETSC_DIR"
[[ $(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") == $PETSC_DIR ]] \
|| echo " ~~> "$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR")
echo -n "PETSc location "
[ -d $PETSC_DIR ] && echo $PETSC_DIR || blink $PETSC_DIR
[[ $(canonicalPath "$PETSC_DIR") == $PETSC_DIR ]] \
|| echo " ~~> "$(canonicalPath "$PETSC_DIR")
fi
echo "MSC.Marc/Mentat $MSC_ROOT"
echo -n "MSC.Marc/Mentat "
[ -d $MSC_ROOT ] && echo $MSC_ROOT || blink $MSC_ROOT
echo
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
echo -n "heap size "
[[ "$(ulimit -d)" == "unlimited" ]] \
&& echo "unlimited" \

38
env/DAMASK.zsh vendored
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@ -1,6 +1,10 @@
# sets up an environment for DAMASK on zsh
# usage: source DAMASK.zsh
function canonicalPath {
python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1
}
# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.zsh to $DAMASK_ROOT/env/DAMASK.zsh)
if [ ${0:t:r} = 'DAMASK' ]; then
DAMASK_ROOT=${0:a:h}'/..'
@ -19,23 +23,23 @@ source $DAMASK_ROOT/CONFIG
unset -f set
# add DAMASK_BIN if present
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
[ "x$DAMASK_BIN != x" ] && PATH=$DAMASK_BIN:$PATH
SOLVER=`which DAMASK_spectral || True 2>/dev/null`
PROCESSING=`which postResults || True 2>/dev/null`
[ "x$DAMASK_NUM_THREADS" = "x" ] && DAMASK_NUM_THREADS=1
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
[ "x$SOLVER == x" ] && SOLVER='Not found!'
# according to http://software.intel.com/en-us/forums/topic/501500
# this seems to make sense for the stack size
if [ "`which free 2>/dev/null`" != "free not found" ]; then
freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
PROCESSING=$(type -p postResults || true 2>/dev/null)
[ "x$PROCESSING == x" ] && PROCESSING='Not found!'
# http://superuser.com/questions/220059/what-parameters-has-ulimit
#ulimit -d `expr $freeMem / 2` 2>/dev/null # maximum heap size (kB)
ulimit -s `expr $freeMem / $DAMASK_NUM_THREADS / 2` 2>/dev/null # maximum stack size (kB)
fi
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size
[ "x$DAMASK_NUM_THREADS == x" ] && DAMASK_NUM_THREADS=1
# currently, there is no information that unlimited causes problems
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
# http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size
# disable output in case of scp
if [ ! -z "$PS1" ]; then
@ -51,8 +55,8 @@ if [ ! -z "$PS1" ]; then
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
if [ "x$PETSC_DIR" != "x" ]; then
echo "PETSc location $PETSC_DIR"
[[ $(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") == $PETSC_DIR ]] \
|| echo " ~~> "$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR")
[[ $(canonicalPath "$PETSC_DIR") == $PETSC_DIR ]] \
|| echo " ~~> "$(canonicalPath "$PETSC_DIR")
fi
[[ "x$PETSC_ARCH" == "x" ]] \
|| echo "PETSc architecture $PETSC_ARCH"
@ -79,7 +83,7 @@ fi
export DAMASK_NUM_THREADS
export PYTHONPATH=$DAMASK_ROOT/lib:$PYTHONPATH
for var in BASE STAT SOLVER PROCESSING FREE DAMASK_BIN MATCH; do
for var in BASE STAT SOLVER PROCESSING FREE DAMASK_BIN; do
unset "${var}"
done
for var in DAMASK MSC; do

25
examples/ConfigFiles/Phase_Isotropic_FreeSurface.config Normal file
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@ -0,0 +1,25 @@
[Air]
## Isotropic Material model to simulate free surfaces ##
## For more information see paper Maiti+Eisenlohr2018, Scripta Materialia,
## "Fourier-based spectral method solution to finite strain crystal plasticity with free surfaces"
elasticity hooke
plasticity isotropic
/dilatation/
(output) flowstress
(output) strainrate
lattice_structure isotropic
c11 110.9e9
c12 0.0
taylorfactor 3
tau0 31e6
gdot0 0.001
n 20
h0 75e6
tausat 63e6
w0 2.25
atol_resistance 1

0
examples/ConfigFiles/Phase_None_Orthorombic.config → examples/ConfigFiles/Phase_None_Orthorhombic.config
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177
installation/mods_Abaqus/abaqus_v6_windows.env
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@ -1,177 +0,0 @@
#
# System-Wide Abaqus Environment File
# -------------------------------------
standard_parallel = ALL
mp_mode = MPI
mp_file_system = (DETECT,DETECT)
mp_num_parallel_ftps = (4, 4)
mp_environment_export = ('MPI_PROPAGATE_TSTP',
'ABA_CM_BUFFERING',
'ABA_CM_BUFFERING_LIMIT',
'ABA_ITERATIVE_SOLVER_VERBOSE',
'ABA_DMPSOLVER_BWDPARALLELOFF',
'ABA_ELP_SURFACE_SPLIT',
'ABA_ELP_SUSPEND',
'ABA_HOME',
'ABA_MEMORY_MODE',
'ABA_MPI_MESSAGE_TRACKING',
'ABA_MPI_VERBOSE_LEVEL',
'ABA_PATH',
'ABAQUS_CSE_RELTIMETOLERANCE',
'ABA_RESOURCE_MONITOR',
'ABA_RESOURCE_USEMALLINFO',
'ABAQUS_LANG',
'ABAQUS_CSE_CURRCONFIGMAPPING',
'ABAQUS_MPF_DIAGNOSTIC_LEVEL',
'ABAQUSLM_LICENSE_FILE',
'ABQ_CRTMALLOC',
'ABQ_DATACHECK',
'ABQ_RECOVER',
'ABQ_RESTART',
'ABQ_SPLITFILE',
'ABQ_XPL_WINDOWDUMP',
'ABQ_XPL_PARTITIONSIZE',
'ABQLMHANGLIMIT',
'ABQLMQUEUE',
'ABQLMUSER',
'CCI_RENDEZVOUS',
'DOMAIN',
'DOMAIN_CPUS',
'DOUBLE_PRECISION',
'FLEXLM_DIAGNOSTICS',
'FOR0006',
'FOR0064',
'FOR_IGNORE_EXCEPTIONS',
'FOR_DISABLE_DIAGNOSTIC_DISPLAY',
'LD_PRELOAD',
'MP_NUMBER_OF_THREADS',
'MPC_GANG',
'MPI_FLAGS',
'MPI_FLUSH_FCACHE',
'MPI_RDMA_NENVELOPE',
'MPI_SOCKBUFSIZE',
'MPI_USE_MALLOPT_MMAP_MAX',
'MPI_USE_MALLOPT_MMAP_THRESHOLD',
'MPI_USE_MALLOPT_SBRK_PROTECTION',
'MPI_WORKDIR',
'MPCCI_DEBUG',
'MPCCI_CODEID',
'MPCCI_JOBID',
'MPCCI_NETDEVICE',
'MPCCI_TINFO',
'MPCCI_SERVER',
'ABAQUS_CCI_DEBUG',
'NCPUS',
'OMP_DYNAMIC',
'OMP_NUM_THREADS',
'OUTDIR',
'PAIDUP',
'PARALLEL_METHOD',
'RAIDEV_NDREG_LAZYMEM',
'ABA_SYMBOLIC_GENERALCOLLAPSE',
'ABA_SYMBOLIC_GENERAL_MAXCLIQUERANK',
'ABA_ADM_MINIMUMINCREASE',
'ABA_ADM_MINIMUMDECREASE',
'IPATH_NO_CPUAFFINITY',
'MALLOC_MMAP_THRESHOLD_',
'ABA_EXT_SIMOUTPUT',
'SMA_WS',
'SMA_PARENT',
'SMA_PLATFORM',
'ABA_PRE_DECOMPOSITION',
'ACML_FAST_MALLOC',
'ACML_FAST_MALLOC_CHUNK_SIZE',
'ACML_FAST_MALLOC_MAX_CHUNKS',
'ACML_FAST_MALLOC_DEBUG')
import driverUtils, os
#-*- mode: python -*-
# #
# Compile and Link command settings for the Windows 64 Platform #
# ( AMD Opteron / Intel EM64T ) #
# #
compile_fortran=['ifort',
'/c','/DABQ_WIN86_64', '/u',
'/iface:cref', '/recursive', '/Qauto-scalar',
'/QxSSE3', '/QaxAVX',
'/heap-arrays:1',
# '/Od', '/Ob0' # <-- Optimization
# '/Zi', # <-- Debugging
'/include:%I', '/free', '/O1', '/fpp', '/openmp', '/Qmkl']
link_sl=['LINK',
'/nologo', '/NOENTRY', '/INCREMENTAL:NO', '/subsystem:console', '/machine:AMD64',
'/NODEFAULTLIB:LIBC.LIB', '/NODEFAULTLIB:LIBCMT.LIB',
'/DEFAULTLIB:OLDNAMES.LIB', '/DEFAULTLIB:LIBIFCOREMD.LIB', '/DEFAULTLIB:LIBIFPORTMD', '/DEFAULTLIB:LIBMMD.LIB',
'/DEFAULTLIB:kernel32.lib', '/DEFAULTLIB:user32.lib', '/DEFAULTLIB:advapi32.lib',
'/FIXED:NO', '/dll',
'/def:%E', '/out:%U', '%F', '%A', '%L', '%B',
'oldnames.lib', 'user32.lib', 'ws2_32.lib', 'netapi32.lib', 'advapi32.lib']
link_exe=['LINK',
'/nologo', '/INCREMENTAL:NO', '/subsystem:console', '/machine:AMD64', '/STACK:20000000',
'/NODEFAULTLIB:LIBC.LIB', '/NODEFAULTLIB:LIBCMT.LIB', '/DEFAULTLIB:OLDNAMES.LIB', '/DEFAULTLIB:LIBIFCOREMD.LIB',
'/DEFAULTLIB:LIBIFPORTMD', '/DEFAULTLIB:LIBMMD.LIB', '/DEFAULTLIB:kernel32.lib',
'/DEFAULTLIB:user32.lib', '/DEFAULTLIB:advapi32.lib',
'/FIXED:NO', '/LARGEADDRESSAWARE',
'/out:%J', '%F', '%M', '%L', '%B', '%O',
'oldnames.lib', 'user32.lib', 'ws2_32.lib', 'netapi32.lib', 'advapi32.lib']
# Link command to be used for MAKE w/o fortran compiler.
# remove the pound signs in order to remove the comments and have the file take effect.
#
#link_exe=['LINK', '/nologo', 'INCREMENTAL:NO', '/subsystem:console', '/machine:AMD64', '/NODEFAULTLIB:LIBC.LIB', '/NODEFAULTLIB:LIBCMT.LIB',
# '/DEFAULTLIB:OLDNAMES.LIB', '/DEFAULTLIB:MSVCRT.LIB', '/DEFAULTLIB:kernel32.lib', 'DEFAULTLIB:user32.lib', '/DEFAULTLIB:advapi32.lib',
# '/FIXED:NO', '/LARGEADDRESSAWARE', '/DEBUG', '/out:%J', '%F', '%M', '%L', '%B', '%O', 'oldnames.lib', 'user32.lib', 'ws2_32.lib',
# 'netapi32.lib', 'advapi32.lib]
# MPI Configuration
mp_mode = THREADS
mp_mpi_implementation = NATIVE
mp_rsh_command = 'dummy %H -l %U -n %C'
mp_mpirun_path = {}
mpirun = ''
progDir = os.environ.get('ProgramFiles','C:\\Program Files')
for mpiDir in ('Microsoft HPC Pack', 'Microsoft HPC Pack 2008 R2', 'Microsoft HPC Pack 2008', 'Microsoft HPC Pack 2008 SDK'):
mpirun = progDir + os.sep + mpiDir + os.sep + 'bin' + os.sep + 'mpiexec.exe'
if os.path.exists(mpirun):
mp_mpirun_path[NATIVE] = mpirun
mp_mpirun_path[MSSDK] = os.path.join(progDir, mpiDir)
break
if os.environ.has_key('CCP_HOME'):
from queueCCS import QueueCCS
queues['default'] = QueueCCS(queueName='share')
queues['share'] = QueueCCS(queueName='share')
queues['local'] = QueueCCS(queueName='local')
queues['genxmlshare'] = QueueCCS(queueName='genxmlshare')
queues['genxmllocal'] = QueueCCS(queueName='genxmllocal')
del QueueCCS
mpirun = os.path.join(os.environ['CCP_HOME'], 'bin', 'mpiexec.exe')
if os.path.exists(mpirun):
mp_mpirun_path[NATIVE] = mpirun
run_mode=BATCH
if mp_mpirun_path:
mp_mode=MPI
del progDir, mpiDir, mpirun
graphicsEnv = driverUtils.locateFile(os.environ['ABA_PATH'],'site','graphicsConfig','env')
if graphicsEnv:
execfile(graphicsEnv)
else:
raise 'Cannot find the graphics configuration environment file (graphicsConfig.env)'
del driverUtils, os, graphicsEnv
license_server_type=FLEXNET
abaquslm_license_file=""
doc_root="
doc_root_type="html"
academic=RESEARCH

52
installation/mods_MarcMentat/2017/Marc_tools/comp_damask Normal file
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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

52
installation/mods_MarcMentat/2017/Marc_tools/comp_damask_h Normal file
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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

52
installation/mods_MarcMentat/2017/Marc_tools/comp_damask_hmp Normal file
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#!/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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#!/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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#!/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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#!/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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#!/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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#
# 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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#
# 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

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

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

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

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

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

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

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

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#!/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

187
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@ -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

187
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@ -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

187
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@ -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

187
installation/mods_MarcMentat/2017/Mentat_bin/submit7 Normal file
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@ -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

187
installation/mods_MarcMentat/2017/Mentat_bin/submit8 Normal file
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@ -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

187
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@ -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

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File diff suppressed because it is too large Load Diff

3
installation/mods_MarcMentat/apply_DAMASK_modifications.sh
View File

@ -123,8 +123,7 @@ echo 'setting file access rights...'
for filename in marc$VERSION/tools/run_damask* \
marc$VERSION/tools/comp_damask* \
mentat$VERSION/bin/submit{4..9} \
mentat$VERSION/bin/kill{4..9} \
mentat$VERSION/bin/kill{4..9} ; do
chmod 755 $INSTALLDIR/${filename}
done

424
lib/MarcInclude/concom2017 Normal file
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! 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/)
!!

66
lib/MarcInclude/creeps2017 Normal file
View File

@ -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/)
!!

67
lib/damask/asciitable.py
View File

@ -14,12 +14,6 @@ except(NameError):
class ASCIItable():
"""Read and write to ASCII tables"""
__slots__ = ['__IO__',
'info',
'labeled',
'data',
]
tmpext = '_tmp' # filename extension for in-place access
# ------------------------------------------------------------------
@ -370,48 +364,29 @@ class ASCIItable():
"""
from collections import Iterable
if isinstance(labels, Iterable) and not isinstance(labels, str): # check whether list of labels is requested
dim = []
for label in labels:
if label is not None:
myDim = -1
try: # column given as number?
idx = int(label)-1
myDim = 1 # if found has at least dimension 1
if self.tags[idx].startswith('1_'): # column has multidim indicator?
while idx+myDim < len(self.tags) and self.tags[idx+myDim].startswith("%i_"%(myDim+1)):
myDim += 1 # add while found
except ValueError: # column has string label
label = label[1:-1] if label[0] == label[-1] and label[0] in ('"',"'") else label # remove outermost quotations
if label in self.tags: # can be directly found?
myDim = 1 # scalar by definition
elif '1_'+label in self.tags: # look for first entry of possible multidim object
idx = self.tags.index('1_'+label) # get starting column
myDim = 1 # (at least) one-dimensional
while idx+myDim < len(self.tags) and self.tags[idx+myDim].startswith("%i_"%(myDim+1)):
myDim += 1 # keep adding while going through object
listOfLabels = isinstance(labels, Iterable) and not isinstance(labels, str) # check whether list of labels is requested
if not listOfLabels: labels = [labels]
dim.append(myDim)
else:
dim = -1 # assume invalid label
idx = -1
try: # column given as number?
idx = int(labels)-1
dim = 1 # if found has at least dimension 1
if self.tags[idx].startswith('1_'): # column has multidim indicator?
while idx+dim < len(self.tags) and self.tags[idx+dim].startswith("%i_"%(dim+1)):
dim += 1 # add as long as found
except ValueError: # column has string label
labels = labels[1:-1] if labels[0] == labels[-1] and labels[0] in ('"',"'") else labels # remove outermost quotations
if labels in self.tags: # can be directly found?
dim = 1 # scalar by definition
elif '1_'+labels in self.tags: # look for first entry of possible multidim object
idx = self.tags.index('1_'+labels) # get starting column
dim = 1 # is (at least) one-dimensional
while idx+dim < len(self.tags) and self.tags[idx+dim].startswith("%i_"%(dim+1)):
dim += 1 # keep adding while going through object
dim = []
for label in labels:
if label is not None:
myDim = -1
try: # column given as number?
idx = int(label)-1
myDim = 1 # if found treat as single column of dimension 1
except ValueError: # column has string label
label = label[1:-1] if label[0] == label[-1] and label[0] in ('"',"'") else label # remove outermost quotations
if label in self.tags: # can be directly found?
myDim = 1 # scalar by definition
elif '1_'+label in self.tags: # look for first entry of possible multidim object
idx = self.tags.index('1_'+label) # get starting column
myDim = 1 # (at least) one-dimensional
while idx+myDim < len(self.tags) and self.tags[idx+myDim].startswith("%i_"%(myDim+1)):
myDim += 1 # keep adding while going through object
return np.array(dim) if isinstance(dim,Iterable) else dim
dim.append(myDim)
return np.array(dim) if listOfLabels else dim[0]
# ------------------------------------------------------------------
def label_indexrange(self,

50
lib/damask/colormaps.py
View File

@ -26,11 +26,12 @@ class Color():
color = np.zeros(3,'d')):
self.__transforms__ = \
{'HSL': {'index': 0, 'next': self._HSL2RGB},
'RGB': {'index': 1, 'next': self._RGB2XYZ, 'prev': self._RGB2HSL},
'XYZ': {'index': 2, 'next': self._XYZ2CIELAB, 'prev': self._XYZ2RGB},
'CIELAB': {'index': 3, 'next': self._CIELAB2MSH, 'prev': self._CIELAB2XYZ},
'MSH': {'index': 4, 'prev': self._MSH2CIELAB},
{'HSV': {'index': 0, 'next': self._HSV2HSL},
'HSL': {'index': 1, 'next': self._HSL2RGB, 'prev': self._HSL2HSV},
'RGB': {'index': 2, 'next': self._RGB2XYZ, 'prev': self._RGB2HSL},
'XYZ': {'index': 3, 'next': self._XYZ2CIELAB, 'prev': self._XYZ2RGB},
'CIELAB': {'index': 4, 'next': self._CIELAB2MSH, 'prev': self._CIELAB2XYZ},
'MSH': {'index': 5, 'prev': self._MSH2CIELAB},
}
model = model.upper()
@ -84,6 +85,45 @@ class Color():
def _HSV2HSL(self):
"""
Convert H(ue) S(aturation) V(alue or brightness) to H(ue) S(aturation) L(uminance)
with all values in the range of 0 to 1
http://codeitdown.com/hsl-hsb-hsv-color/
"""
if self.model != 'HSV': return
converted = Color('HSL',np.array([
self.color[0],
1. if self.color[2] == 0.0 or (self.color[1] == 0.0 and self.color[2] == 1.0) \
else self.color[1]*self.color[2]/(1.-abs(self.color[2]*(2.-self.color[1])-1.)),
0.5*self.color[2]*(2.-self.color[1]),
]))
self.model = converted.model
self.color = converted.color
def _HSL2HSV(self):
"""
Convert H(ue) S(aturation) L(uminance) to H(ue) S(aturation) V(alue or brightness)
with all values in the range of 0 to 1
http://codeitdown.com/hsl-hsb-hsv-color/
"""
if self.model != 'HSL': return
h = self.color[0]
b = self.color[2]+0.5*(self.color[1]*(1.-abs(2*self.color[2]-1)))
s = 1.0 if b == 0.0 else 2.*(b-self.color[2])/b
converted = Color('HSV',np.array([h,s,b]))
self.model = converted.model
self.color = converted.color
def _HSL2RGB(self):
"""
Convert H(ue) S(aturation) L(uminance) to R(red) G(reen) B(lue)

2
lib/damask/config/material.py
View File

@ -101,8 +101,6 @@ class Texture(Section):
class Material():
"""Reads, manipulates and writes material.config files"""
__slots__ = ['data']
def __init__(self,verbose=True):
"""Generates ordered list of parts"""
self.parts = [

35
processing/post/addCalculation.py
View File

@ -41,7 +41,7 @@ parser.add_option('-f','--formula',
parser.add_option('-c','--condition',
dest = 'condition', metavar='string',
help = 'condition to filter rows')
help = 'condition to alter existing column data')
parser.set_defaults(condition = None,
)
@ -77,28 +77,27 @@ for name in filenames:
# --------------------------------------- evaluate condition ---------------------------------------
if options.condition is not None:
interpolator = []
condition = options.condition # copy per file, since might be altered inline
breaker = False
for position,operand in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
condition = condition.replace('#'+operand[0]+'#',
{ '': '{%i}'%position,
's#':'"{%i}"'%position}[operand[1]])
if operand[2] in specials: # special label
interpolator += ['specials["%s"]'%operand[2]]
for position,(all,marker,column) in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
idx = table.label_index(column)
dim = table.label_dimension(column)
if idx < 0 and column not in specials:
damask.util.croak('column "{}" not found.'.format(column))
breaker = True
else:
try:
interpolator += ['%s(table.data[%i])'%({ '':'float',
's#':'str'}[operand[1]],
table.label_index(operand[2]))] # could be generalized to indexrange as array lookup
except:
damask.util.croak('column "{}" not found.'.format(operand[2]))
breaker = True
if column in specials:
replacement = 'specials["{}"]'.format(column)
elif dim == 1: # scalar input
replacement = '{}(table.data[{}])'.format({ '':'float',
's#':'str'}[marker],idx) # take float or string value of data column
elif dim > 1: # multidimensional input (vector, tensor, etc.)
replacement = 'np.array(table.data[{}:{}],dtype=float)'.format(idx,idx+dim) # use (flat) array representation
if breaker: continue # found mistake in condition evaluation --> next file
condition = condition.replace('#'+all+'#',replacement)
evaluator_condition = "'" + condition + "'.format(" + ','.join(interpolator) + ")"
if breaker: continue # found mistake in condition evaluation --> next file
# ------------------------------------------ build formulas ----------------------------------------
@ -162,7 +161,7 @@ for name in filenames:
# -------------------------------------- evaluate formulas -----------------------------------------
if options.condition is None or eval(eval(evaluator_condition)): # condition for veteran replacement fulfilled
if options.condition is None or eval(condition): # condition for veteran replacement fulfilled
for veteran in veterans: # evaluate formulas that overwrite
table.data[table.label_index(veteran):
table.label_index(veteran)+table.label_dimension(veteran)] = \

29
processing/post/addLinked.py
View File

@ -14,7 +14,7 @@ scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Add data of selected column(s) from (first) row of second ASCIItable that shares the linking column value.
Add data of selected column(s) from (first) row of linked ASCIItable that shares the linking column value.
""", version = scriptID)
@ -25,7 +25,7 @@ parser.add_option('--link',
parser.add_option('-l','--label',
dest = 'label',
action = 'extend', metavar = '<string LIST>',
help = 'column label(s) to be appended')
help = 'column label(s) to add from linked ASCIItable')
parser.add_option('-a','--asciitable',
dest = 'asciitable',
type = 'string', metavar = 'string',
@ -48,17 +48,19 @@ if options.asciitable is not None and os.path.isfile(options.asciitable):
buffered = False,
readonly = True)
linkedTable.head_read() # read ASCII header info of linked table
if linkedTable.label_dimension(options.link[1]) != 1:
parser.error('linking column {} needs to be scalar valued.'.format(options.link[1]))
linkDim = linkedTable.label_dimension(options.link[1]) # dimension of linking column
missing_labels = linkedTable.data_readArray([options.link[1]]+options.label)
missing_labels = linkedTable.data_readArray([options.link[1]]+options.label) # try reading linked ASCII table
linkedTable.close() # close linked ASCII table
if len(missing_labels) > 0:
damask.util.croak('column{} {} not found...'.format('s' if len(missing_labels) > 1 else '',', '.join(missing_labels)))
if len(missing_labels) >= len(options.label):
damask.util.croak('aborting...')
sys.exit()
index = linkedTable.data[:,0]
data = linkedTable.data[:,1:]
index = linkedTable.data[:,:linkDim]
data = linkedTable.data[:,linkDim:]
else:
parser.error('no linked ASCIItable given.')
@ -70,7 +72,8 @@ for name in filenames:
try: table = damask.ASCIItable(name = name,
buffered = False)
except: continue
damask.util.report(scriptName,name)
damask.util.report(scriptName,"{} {} <== {} {}".format(name,damask.util.deemph('@ '+options.link[0]),
options.asciitable,damask.util.deemph('@ '+options.link[1])))
# ------------------------------------------ read header ------------------------------------------
@ -80,8 +83,10 @@ for name in filenames:
errors = []
linkColumn = table.label_index(options.link[0])
if linkColumn < 0: errors.append('linking column {} not found.'.format(options.link[0]))
myLink = table.label_index (options.link[0])
myLinkDim = table.label_dimension(options.link[0])
if myLink < 0: errors.append('linking column {} not found.'.format(options.link[0]))
if myLinkDim != linkDim: errors.append('dimension mismatch for column {}.'.format(options.link[0]))
if errors != []:
damask.util.croak(errors)
@ -91,7 +96,7 @@ for name in filenames:
# ------------------------------------------ assemble header --------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.labels_append(linkedTable.labels(raw = True)[1:]) # extend with new labels (except for linked column)
table.labels_append(linkedTable.labels(raw = True)[linkDim:]) # extend with new labels (except for linked column)
table.head_write()
@ -100,7 +105,7 @@ for name in filenames:
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
try:
table.data_append(data[np.argwhere(index == float(table.data[linkColumn]))[0]]) # add data from first matching line
table.data_append(data[np.argwhere(np.all((map(float,table.data[myLink:myLink+myLinkDim]) - index)==0,axis=1))[0]]) # add data of first matching line
except IndexError:
table.data_append(np.nan*np.ones_like(data[0])) # or add NaNs
outputAlive = table.data_write() # output processed line

21
processing/post/addOrientations.py
View File

@ -42,14 +42,22 @@ parser.add_option('-r', '--crystalrotation',
dest='crystalrotation',
type = 'float', nargs = 4, metavar = ' '.join(['float']*4),
help = 'angle and axis of additional crystal frame rotation')
parser.add_option('-e', '--eulers',
parser.add_option( '--eulers',
dest = 'eulers',
type = 'string', metavar = 'string',
help = 'Euler angles label')
parser.add_option('-m', '--matrix',
parser.add_option( '--rodrigues',
dest = 'rodrigues',
type = 'string', metavar = 'string',
help = 'Rodrigues vector label')
parser.add_option( '--matrix',
dest = 'matrix',
type = 'string', metavar = 'string',
help = 'orientation matrix label')
parser.add_option( '--quaternion',
dest = 'quaternion',
type = 'string', metavar = 'string',
help = 'quaternion label')
parser.add_option('-a',
dest = 'a',
type = 'string', metavar = 'string',
@ -62,10 +70,6 @@ parser.add_option('-c',
dest = 'c',
type = 'string', metavar = 'string',
help = 'crystal frame c vector label')
parser.add_option('-q', '--quaternion',
dest = 'quaternion',
type = 'string', metavar = 'string',
help = 'quaternion label')
parser.set_defaults(output = [],
symmetry = damask.Symmetry.lattices[-1],
@ -81,6 +85,7 @@ if options.output == [] or (not set(options.output).issubset(set(outputChoices))
parser.error('output must be chosen from {}.'.format(', '.join(outputChoices)))
input = [options.eulers is not None,
options.rodrigues is not None,
options.a is not None and \
options.b is not None and \
options.c is not None,
@ -91,6 +96,7 @@ input = [options.eulers is not None,
if np.sum(input) != 1: parser.error('needs exactly one input format.')
(label,dim,inputtype) = [(options.eulers,3,'eulers'),
(options.rodrigues,3,'rodrigues'),
([options.a,options.b,options.c],[3,3,3],'frame'),
(options.matrix,9,'matrix'),
(options.quaternion,4,'quaternion'),
@ -143,6 +149,9 @@ for name in filenames:
if inputtype == 'eulers':
o = damask.Orientation(Eulers = np.array(map(float,table.data[column:column+3]))*toRadians,
symmetry = options.symmetry).reduced()
elif inputtype == 'rodrigues':
o = damask.Orientation(Rodrigues= np.array(map(float,table.data[column:column+3])),
symmetry = options.symmetry).reduced()
elif inputtype == 'matrix':
o = damask.Orientation(matrix = np.array(map(float,table.data[column:column+9])).reshape(3,3).transpose(),
symmetry = options.symmetry).reduced()

20
processing/post/addSpectralDecomposition.py
View File

@ -22,7 +22,13 @@ parser.add_option('-t','--tensor',
dest = 'tensor',
action = 'extend', metavar = '<string LIST>',
help = 'heading of columns containing tensor field values')
parser.add_option('--no-check',
dest = 'rh',
action = 'store_false',
help = 'skip check for right-handed eigenvector basis')
parser.set_defaults(rh = True,
)
(options,filenames) = parser.parse_args()
if options.tensor is None:
@ -57,8 +63,10 @@ for name in filenames:
if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
else:
items[type]['column'].append(table.label_index(what))
table.labels_append(['{}_eigval({})'.format(i+1,what) for i in range(3)]) # extend ASCII header with new labels
table.labels_append(['{}_eigvec({})'.format(i+1,what) for i in range(9)]) # extend ASCII header with new labels
for order in ['Min','Mid','Max']:
table.labels_append(['eigval{}({})'.format(order,what)]) # extend ASCII header with new labels
for order in ['Min','Mid','Max']:
table.labels_append(['{}_eigvec{}({})'.format(i+1,order,what) for i in range(3)]) # extend ASCII header with new labels
if remarks != []: damask.util.croak(remarks)
if errors != []:
@ -78,10 +86,10 @@ for name in filenames:
for type, data in items.iteritems():
for column in data['column']:
(u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape']))
if np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed coordinate system
table.data_append(list(u))
table.data_append(list(v.transpose().reshape(data['dim'])))
outputAlive = table.data_write() # output processed line
if options.rh and np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed eigenvector basis
table.data_append(list(u)) # vector of max,mid,min eigval
table.data_append(list(v.transpose().reshape(data['dim']))) # 3x3=9 combo vector of max,mid,min eigvec coordinates
outputAlive = table.data_write() # output processed line in accordance with column labeling
# ------------------------------------------ output finalization -----------------------------------

68
processing/post/filterTable.py
View File

@ -51,7 +51,7 @@ parser.add_option('-c','--condition',
dest = 'condition', metavar='string',
help = 'condition to filter rows')
parser.set_defaults(condition = '',
parser.set_defaults(condition = None,
)
(options,filenames) = parser.parse_args()
@ -93,45 +93,61 @@ for name in filenames:
or fnmatch.fnmatch(label,needle) for needle in options.whitelist] # which whitelist items do match it
whitelistitem[i] = match.index(True) if np.sum(match) == 1 else -1 # unique match to a whitelist item --> store which
sorted = np.lexsort(sortingList(labels,whitelistitem))
order = range(len(labels)) if sorted[0] < 0 else sorted # skip reordering if non-unique, i.e. first sorted is "-1"
order = range(len(labels)) if np.any(whitelistitem < 0) \
else np.lexsort(sortingList(labels,whitelistitem)) # reorder if unique, i.e. no "-1" in whitelistitem
else:
order = range(len(labels)) # maintain original order of labels
interpolator = []
condition = options.condition # copy per file, might be altered
for position,operand in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
condition = condition.replace('#'+operand[0]+'#',
{ '': '{{{}}}' .format(position),
's#':'"{{{}}}"'.format(position)}[operand[1]])
if operand[2] in specials: # special label ?
interpolator += ['specials["{}"]'.format(operand[2])]
else:
try:
interpolator += ['{}(table.data[{}])'.format({ '':'float',
's#':'str'}[operand[1]],
table.label_index(operand[2]))]
except:
parser.error('column "{}" not found...\n'.format(operand[2]))
# --------------------------------------- evaluate condition ---------------------------------------
if options.condition is not None:
condition = options.condition # copy per file, since might be altered inline
breaker = False
evaluator = "'" + condition + "'.format(" + ','.join(interpolator) + ")"
for position,(all,marker,column) in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
idx = table.label_index(column)
dim = table.label_dimension(column)
if idx < 0 and column not in specials:
damask.util.croak('column "{}" not found.'.format(column))
breaker = True
else:
if column in specials:
replacement = 'specials["{}"]'.format(column)
elif dim == 1: # scalar input
replacement = '{}(table.data[{}])'.format({ '':'float',
's#':'str'}[marker],idx) # take float or string value of data column
elif dim > 1: # multidimensional input (vector, tensor, etc.)
replacement = 'np.array(table.data[{}:{}],dtype=float)'.format(idx,idx+dim) # use (flat) array representation
condition = condition.replace('#'+all+'#',replacement)
if breaker: continue # found mistake in condition evaluation --> next file
# ------------------------------------------ assemble header ---------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.labels_clear()
table.labels_append(np.array(labels)[order]) # update with new label set
table.labels_append(np.array(labels)[order]) # update with new label set
table.head_write()
# ------------------------------------------ process and output data ------------------------------------------
positions = np.array(positions)[order]
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
specials['_row_'] += 1 # count row
if condition == '' or eval(eval(evaluator)): # valid row ?
table.data = [table.data[position] for position in positions] # retain filtered columns
outputAlive = table.data_write() # output processed line
atOnce = options.condition is None
if atOnce: # read full array and filter columns
try:
table.data_readArray(positions+1) # read desired columns (indexed 1,...)
table.data_writeArray() # directly write out
except:
atOnce = False # data contains items that prevent array chunking
if not atOnce: # read data line by line
outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table
specials['_row_'] += 1 # count row
if options.condition is None or eval(condition): # valid row ?
table.data = [table.data[position] for position in positions] # retain filtered columns
outputAlive = table.data_write() # output processed line
# ------------------------------------------ finalize output -----------------------------------------

104
processing/post/postResults.py
View File

@ -431,7 +431,7 @@ def mapIncremental(label, mapping, N, base, new):
'avgabs': lambda n,b,a: (n*b+abs(a))/(n+1),
'sum': lambda n,b,a: a if n==0 else b+a,
'sumabs': lambda n,b,a: abs(a) if n==0 else b+abs(a),
'unique': lambda n,b,a: a if n==0 or b==a else 'n/a'
'unique': lambda n,b,a: a if n==0 or b==a else 'nan'
}
if mapping in theMap:
mapped = map(theMap[mapping],[N]*len(base),base,new) # map one of the standard functions to data
@ -442,7 +442,7 @@ def mapIncremental(label, mapping, N, base, new):
try:
mapped = eval('map(%s,[N]*len(base),base,new)'%mapping) # map user defined function to colums in chunks
except:
mapped = ['n/a']*len(base)
mapped = ['nan']*len(base)
return mapped
@ -451,9 +451,9 @@ def mapIncremental(label, mapping, N, base, new):
# -----------------------------
def OpenPostfile(name,type,nodal = False):
"""Open postfile with extrapolation mode 'translate'"""
p = {\
'spectral': MPIEspectral_result,\
'marc': post_open,\
p = {
'spectral': MPIEspectral_result,
'marc': post_open,
}[type](name)
p.extrapolation({True:'linear',False:'translate'}[nodal])
p.moveto(1)
@ -512,19 +512,19 @@ def ParsePostfile(p,filename, outputFormat):
needs "outputFormat" for mapping of output names to postfile output indices
"""
stat = { \
'IndexOfLabel': {}, \
'Title': p.title(), \
'Extrapolation': p.extrapolate, \
'NumberOfIncrements': p.increments(), \
'NumberOfNodes': p.nodes(), \
'NumberOfNodalScalars': p.node_scalars(), \
'LabelOfNodalScalar': [None]*p.node_scalars() , \
'NumberOfElements': p.elements(), \
'NumberOfElementalScalars': p.element_scalars(), \
'LabelOfElementalScalar': [None]*p.element_scalars() , \
'NumberOfElementalTensors': p.element_tensors(), \
'LabelOfElementalTensor': [None]*p.element_tensors(), \
stat = {
'IndexOfLabel': {},
'Title': p.title(),
'Extrapolation': p.extrapolate,
'NumberOfIncrements': p.increments(),
'NumberOfNodes': p.nodes(),
'NumberOfNodalScalars': p.node_scalars(),
'LabelOfNodalScalar': [None]*p.node_scalars(),
'NumberOfElements': p.elements(),
'NumberOfElementalScalars': p.element_scalars(),
'LabelOfElementalScalar': [None]*p.element_scalars(),
'NumberOfElementalTensors': p.element_tensors(),
'LabelOfElementalTensor': [None]*p.element_tensors(),
}
# --- find labels
@ -671,6 +671,9 @@ parser.add_option('-m','--map', dest='func',
parser.add_option('-p','--type', dest='filetype',
metavar = 'string',
help = 'type of result file [auto]')
parser.add_option('-q','--quiet', dest='verbose',
action = 'store_false',
help = 'suppress verbose output')
group_material = OptionGroup(parser,'Material identifier')
@ -711,24 +714,26 @@ parser.add_option_group(group_material)
parser.add_option_group(group_general)
parser.add_option_group(group_special)
parser.set_defaults(info = False)
parser.set_defaults(legacy = False)
parser.set_defaults(nodal = False)
parser.set_defaults(prefix = '')
parser.set_defaults(suffix = '')
parser.set_defaults(dir = 'postProc')
parser.set_defaults(filetype = None)
parser.set_defaults(func = 'avg')
parser.set_defaults(homog = '1')
parser.set_defaults(cryst = '1')
parser.set_defaults(phase = '1')
parser.set_defaults(filter = '')
parser.set_defaults(sep = [])
parser.set_defaults(sort = [])
parser.set_defaults(inc = False)
parser.set_defaults(time = False)
parser.set_defaults(separateFiles = False)
parser.set_defaults(getIncrements= False)
parser.set_defaults(info = False,
verbose = True,
legacy = False,
nodal = False,
prefix = '',
suffix = '',
dir = 'postProc',
filetype = None,
func = 'avg',
homog = '1',
cryst = '1',
phase = '1',
filter = '',
sep = [],
sort = [],
inc = False,
time = False,
separateFiles = False,
getIncrements= False,
)
(options, files) = parser.parse_args()
@ -797,8 +802,9 @@ options.sep.reverse()
# --- start background messaging
bg = damask.util.backgroundMessage()
bg.start()
if options.verbose:
bg = damask.util.backgroundMessage()
bg.start()
# --- parse .output and .t16 files
@ -816,7 +822,7 @@ me = {
'Constitutive': options.phase,
}
bg.set_message('parsing .output files...')
if options.verbose: bg.set_message('parsing .output files...')
for what in me:
outputFormat[what] = ParseOutputFormat(filename, what, me[what])
@ -824,9 +830,10 @@ for what in me:
print("\nsection '{}' not found in <{}>".format(me[what], what))
print('\n'.join(map(lambda x:' [%s]'%x, outputFormat[what]['specials']['brothers'])))
bg.set_message('opening result file...')
if options.verbose: bg.set_message('opening result file...')
p = OpenPostfile(filename+extension,options.filetype,options.nodal)
bg.set_message('parsing result file...')
if options.verbose: bg.set_message('parsing result file...')
stat = ParsePostfile(p, filename, outputFormat)
if options.filetype == 'marc':
stat['NumberOfIncrements'] -= 1 # t16 contains one "virtual" increment (at 0)
@ -870,8 +877,7 @@ if options.info:
elementsOfNode = {}
for e in range(stat['NumberOfElements']):
if e%1000 == 0:
bg.set_message('connect elem %i...'%e)
if options.verbose and e%1000 == 0: bg.set_message('connect elem %i...'%e)
for n in map(p.node_sequence,p.element(e).items):
if n not in elementsOfNode:
elementsOfNode[n] = [p.element_id(e)]
@ -893,8 +899,7 @@ memberCount = 0
if options.nodalScalar:
for n in range(stat['NumberOfNodes']):
if n%1000 == 0:
bg.set_message('scan node %i...'%n)
if options.verbose and n%1000 == 0: bg.set_message('scan node %i...'%n)
myNodeID = p.node_id(n)
myNodeCoordinates = [p.node(n).x, p.node(n).y, p.node(n).z]
myElemID = 0
@ -928,8 +933,7 @@ if options.nodalScalar:
else:
for e in range(stat['NumberOfElements']):
if e%1000 == 0:
bg.set_message('scan elem %i...'%e)
if options.verbose and e%1000 == 0: bg.set_message('scan elem %i...'%e)
myElemID = p.element_id(e)
myIpCoordinates = ipCoords(p.element(e).type, map(lambda node: [node.x, node.y, node.z],
map(p.node, map(p.node_sequence, p.element(e).items))))
@ -995,7 +999,7 @@ if 'none' not in map(str.lower, options.sort):
theKeys.append('x[0][%i]'%where[criterium])
sortKeys = eval('lambda x:(%s)'%(','.join(theKeys)))
bg.set_message('sorting groups...')
if options.verbose: bg.set_message('sorting groups...')
groups.sort(key = sortKeys) # in-place sorting to save mem
@ -1014,7 +1018,7 @@ standard = ['inc'] + \
# --------------------------- loop over positions --------------------------------
bg.set_message('getting map between positions and increments...')
if options.verbose: bg.set_message('getting map between positions and increments...')
incAtPosition = {}
positionOfInc = {}
@ -1075,7 +1079,7 @@ for incCount,position in enumerate(locations): # walk through locations
member += 1
if member%1000 == 0:
time_delta = ((len(locations)*memberCount)/float(member+incCount*memberCount)-1.0)*(time.time()-time_start)
bg.set_message('(%02i:%02i:%02i) processing point %i of %i from increment %i (position %i)...'
if options.verbose: bg.set_message('(%02i:%02i:%02i) processing point %i of %i from increment %i (position %i)...'
%(time_delta//3600,time_delta%3600//60,time_delta%60,member,memberCount,increments[incCount],position))
newby = [] # current member's data

17
processing/post/vtk_addPointcloudData.py
View File

@ -52,7 +52,7 @@ parser.set_defaults(data = [],
(options, filenames) = parser.parse_args()
if not options.vtk: parser.error('No VTK file specified.')
if not options.vtk: parser.error('no VTK file specified.')
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
if os.path.splitext(options.vtk)[1] == '.vtp':
@ -66,16 +66,16 @@ elif os.path.splitext(options.vtk)[1] == '.vtk':
reader.Update()
Polydata = reader.GetPolyDataOutput()
else:
parser.error('Unsupported VTK file type extension.')
parser.error('unsupported VTK file type extension.')
Npoints = Polydata.GetNumberOfPoints()
Ncells = Polydata.GetNumberOfCells()
Nvertices = Polydata.GetNumberOfVerts()
if Npoints != Ncells or Npoints != Nvertices:
parser.error('Number of points, cells, and vertices in VTK differ from each other.')
parser.error('number of points, cells, and vertices in VTK differ from each other.')
damask.util.croak('{}: {} points, {} vertices, and {} cells...'.format(options.vtk,Npoints,Nvertices,Ncells))
damask.util.croak('{}: {} points/vertices/cells...'.format(options.vtk,Npoints))
# --- loop over input files -------------------------------------------------------------------------
@ -97,16 +97,19 @@ for name in filenames:
VTKarray = {}
active = defaultdict(list)
for datatype,dimension,label in [['data',99,options.data],
for datatype,dimension,label in [['data',0,options.data],
['tensor',9,options.tensor],
['color' ,3,options.color],
]:
for i,dim in enumerate(table.label_dimension(label)):
me = label[i]
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
elif dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
elif dimension > 0 \
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
else:
remarks.append('adding {} "{}"...'.format(datatype,me))
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
me))
active[datatype].append(me)
if remarks != []: damask.util.croak(remarks)

17
processing/post/vtk_addRectilinearGridData.py
View File

@ -55,7 +55,7 @@ parser.set_defaults(data = [],
(options, filenames) = parser.parse_args()
if not options.vtk: parser.error('No VTK file specified.')
if not options.vtk: parser.error('no VTK file specified.')
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
if os.path.splitext(options.vtk)[1] == '.vtr':
@ -69,7 +69,7 @@ elif os.path.splitext(options.vtk)[1] == '.vtk':
reader.Update()
rGrid = reader.GetRectilinearGridOutput()
else:
parser.error('Unsupported VTK file type extension.')
parser.error('unsupported VTK file type extension.')
Npoints = rGrid.GetNumberOfPoints()
Ncells = rGrid.GetNumberOfCells()
@ -96,16 +96,19 @@ for name in filenames:
VTKarray = {}
active = defaultdict(list)
for datatype,dimension,label in [['data',99,options.data],
for datatype,dimension,label in [['data',0,options.data],
['tensor',9,options.tensor],
['color' ,3,options.color],
]:
for i,dim in enumerate(table.label_dimension(label)):
me = label[i]
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
elif dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
elif dimension > 0 \
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
else:
remarks.append('adding {} "{}"...'.format(datatype,me))
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
me))
active[datatype].append(me)
if remarks != []: damask.util.croak(remarks)
@ -141,7 +144,7 @@ for name in filenames:
if len(table.data) == Npoints: mode = 'point'
elif len(table.data) == Ncells: mode = 'cell'
else:
damask.util.croak('Data count is incompatible with grid...')
damask.util.croak('data count is incompatible with grid...')
continue
damask.util.croak('{} mode...'.format(mode))

1
processing/post/vtk_pointcloud.py
View File

@ -61,7 +61,6 @@ for name in filenames:
# ------------------------------------------ process data ---------------------------------------
table.data_readArray(options.pos)
if len(table.data.shape) < 2: table.data.shape += (1,) # expand to 2D shape
if table.data.shape[1] < 3:
table.data = np.hstack((table.data,
np.zeros((table.data.shape[0],

1
processing/post/vtk_rectilinearGrid.py
View File

@ -70,7 +70,6 @@ for name in filenames:
# --------------- figure out size and grid ---------------------------------------------------------
table.data_readArray(options.pos)
if len(table.data.shape) < 2: table.data.shape += (1,) # expand to 2D shape
if table.data.shape[1] < 3:
table.data = np.hstack((table.data,
np.zeros((table.data.shape[0],

119
processing/pre/3DRVEfrom2Dang.py Normal file
View File

@ -0,0 +1,119 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
from optparse import OptionParser
import damask
import pipes
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]',
description ='generate 3D RVE from .ang files of EBSD slices .',
version = scriptID)
parser.add_option('--offset',
dest='offset',
type='float',
help='offset of EBSD slices [%default]',
metavar='float')
parser.add_option('--outname',
dest='outName',
type='string',
help='output file name [%default]', metavar='string')
parser.add_option('--vtr',
action="store_true",
dest='vtr')
parser.add_option('--geom',
action="store_true",
dest='geom')
parser.set_defaults(offset = 1.0,
outName = 'RVE3D')
(options,filenames) = parser.parse_args()
numFiles = len(filenames)
formatwidth = 1+int(math.log10(numFiles))
# copy original files to tmp files to not alter originals
for i in range(numFiles):
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
strCommand = 'cp ' + pipes.quote(filenames[i]) + ' ' + sliceID
os.system(strCommand)
# modify tmp files
print('Add z-coordinates')
for i in range(numFiles):
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
strCommand = 'OIMgrainFile_toTable ' + sliceID
os.system(strCommand)
strCommand = 'addCalculation --label 3Dpos --formula "np.array(#pos#.tolist()+[' + str(i*options.offset) + '])" ' + sliceID
os.system(strCommand)
# join temp files into one
print('\n Colocate files')
fileOut = open(options.outName + '.ang','w')
# take header information from 1st file
sliceID = 'slice' + str(0).zfill(formatwidth) + '.tmp'
fileRead = open(sliceID)
data = fileRead.readlines()
fileRead.close()
headerLines = int(data[0].split()[0])
fileOut.write(str(headerLines+1) + '\t header\n')
for line in data[1:headerLines]:
fileOut.write(line)
fileOut.write(scriptID + '\t' + ' '.join(sys.argv[1:]) + '\n')
for line in data[headerLines:]:
fileOut.write(line)
# append other files content without header
for i in range(numFiles-1):
sliceID = 'slice' + str(i+1).zfill(formatwidth) + '.tmp'
fileRead = open(sliceID)
data = fileRead.readlines()
fileRead.close()
headerLines = int(data[0].split()[0])
for line in data[headerLines+1:]:
fileOut.write(line)
fileOut.close()
# tidy up and add phase column
print('\n Remove temp data and add phase info')
strCommand = 'filterTable --black pos ' + options.outName + '.ang'
os.system(strCommand)
strCommand = 'reLabel --label 3Dpos --substitute pos ' + options.outName + '.ang'
os.system(strCommand)
strCommand = 'addCalculation -l phase -f 1 ' + options.outName + '.ang'
os.system(strCommand)
# create geom file when asked for
if options.geom:
print('\n Build geometry file')
strCommand = 'geom_fromTable --phase phase --eulers euler --coordinates pos ' + pipes.quote(options.outName) + '.ang'
os.system(strCommand)
# create paraview file when asked for
if options.vtr:
print('\n Build Paraview file')
strCommand = 'addIPFcolor --eulers euler --pole 0.0 0.0 1.0 ' + options.outName + '.ang'
os.system(strCommand)
strCommand = 'vtk_rectilinearGrid ' + pipes.quote(options.outName) + '.ang'
os.system(strCommand)
os.rename(pipes.quote(options.outName) + '_pos(cell)'+'.vtr', pipes.quote(options.outName) + '.vtr')
strCommand = 'vtk_addRectilinearGridData --vtk '+ pipes.quote(options.outName) + '.vtr --color IPF_001_cubic '\
+ pipes.quote(options.outName) + '.ang'
os.system(strCommand)
# delete tmp files
for i in range(numFiles):
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
os.remove(sliceID)

98
processing/pre/geom_addPrimitive.py
View File

@ -36,8 +36,9 @@ parser.add_option('-c', '--center', dest='center', type='float', nargs = 3,
parser.add_option('-d', '--dimension', dest='dimension', type='float', nargs = 3, metavar=' '.join(['float']*3),
help='a,b,c extension of hexahedral box; negative values are diameters')
parser.add_option('-e', '--exponent', dest='exponent', type='float', nargs = 3, metavar=' '.join(['float']*3),
help='i,j,k exponents for axes - 2 gives a sphere (x^2 + y^2 + z^2 < 1), 1 makes \
octahedron (|x| + |y| + |z| < 1). Large values produce boxes, 0 - 1 is concave. ')
help='i,j,k exponents for axes - 0 gives octahedron (|x|^(2^0) + |y|^(2^0) + |z|^(2^0) < 1), \
1 gives a sphere (|x|^(2^1) + |y|^(2^1) + |z|^(2^1) < 1), \
large values produce boxes, negative turns concave.')
parser.add_option('-f', '--fill', dest='fill', type='int', metavar = 'int',
help='grain index to fill primitive. "0" selects maximum microstructure index + 1 [%default]')
parser.add_option('-q', '--quaternion', dest='quaternion', type='float', nargs = 4, metavar=' '.join(['float']*4),
@ -48,15 +49,14 @@ parser.add_option( '--degrees', dest='degrees', action='store_true',
help = 'angle is given in degrees [%default]')
parser.add_option( '--nonperiodic', dest='periodic', action='store_false',
help = 'wrap around edges [%default]')
parser.add_option( '--voxelspace', dest='voxelspace', action='store_true',
help = '-c and -d are given in (0 to grid) coordinates instead of (origin to origin+size) \
coordinates [%default]')
parser.add_option( '--realspace', dest='realspace', action='store_true',
help = '-c and -d span [origin,origin+size] instead of [0,grid] coordinates')
parser.set_defaults(center = (.0,.0,.0),
fill = 0,
degrees = False,
exponent = (1e10,1e10,1e10), # box shape by default
exponent = (20,20,20), # box shape by default
periodic = True,
voxelspace = False
realspace = False,
)
(options, filenames) = parser.parse_args()
@ -74,14 +74,16 @@ else:
options.center = np.array(options.center)
options.dimension = np.array(options.dimension)
# undo logarithmic sense of exponent and generate ellipsoids for negative dimensions (backward compatibility)
options.exponent = np.where(np.array(options.dimension) > 0, np.power(2,options.exponent), 2)
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames:
try:
table = damask.ASCIItable(name = name,
buffered = False, labeled = False)
try: table = damask.ASCIItable(name = name,
buffered = False,
labeled = False)
except: continue
damask.util.report(scriptName,name)
@ -115,45 +117,42 @@ for name in filenames:
'microstructures': 0,
}
if options.fill == 0:
options.fill = microstructure.max()+1
options.fill = microstructure.max()+1 if options.fill == 0 else options.fill
# If we have a negative dimension, make it an ellipsoid for backwards compatibility
options.exponent = np.where(np.array(options.dimension) > 0, options.exponent, 2)
microstructure = microstructure.reshape(info['grid'],order='F')
# coordinates given in real space (default) vs voxel space
if not options.voxelspace:
options.center += info['origin']
if options.realspace:
options.center -= info['origin']
options.center *= np.array(info['grid']) / np.array(info['size'])
options.dimension *= np.array(info['grid']) / np.array(info['size'])
size = microstructure.shape
grid = microstructure.shape
# change to coordinate space where the primitive is the unit sphere/cube/etc
if options.periodic: # use padding to achieve periodicity
(X, Y, Z) = np.meshgrid(np.arange(-size[0]/2, (3*size[0])/2, dtype=np.float32), # 50% padding on each side
np.arange(-size[1]/2, (3*size[1])/2, dtype=np.float32),
np.arange(-size[2]/2, (3*size[2])/2, dtype=np.float32),
(X, Y, Z) = np.meshgrid(np.arange(-grid[0]/2, (3*grid[0])/2, dtype=np.float32), # 50% padding on each side
np.arange(-grid[1]/2, (3*grid[1])/2, dtype=np.float32),
np.arange(-grid[2]/2, (3*grid[2])/2, dtype=np.float32),
indexing='ij')
# Padding handling
X = np.roll(np.roll(np.roll(X,
-size[0]/2, axis=0),
-size[1]/2, axis=1),
-size[2]/2, axis=2)
-grid[0]/2, axis=0),
-grid[1]/2, axis=1),
-grid[2]/2, axis=2)
Y = np.roll(np.roll(np.roll(Y,
-size[0]/2, axis=0),
-size[1]/2, axis=1),
-size[2]/2, axis=2)
-grid[0]/2, axis=0),
-grid[1]/2, axis=1),
-grid[2]/2, axis=2)
Z = np.roll(np.roll(np.roll(Z,
-size[0]/2, axis=0),
-size[1]/2, axis=1),
-size[2]/2, axis=2)
-grid[0]/2, axis=0),
-grid[1]/2, axis=1),
-grid[2]/2, axis=2)
else: # nonperiodic, much lighter on resources
# change to coordinate space where the primitive is the unit sphere/cube/etc
(X, Y, Z) = np.meshgrid(np.arange(0, size[0], dtype=np.float32),
np.arange(0, size[1], dtype=np.float32),
np.arange(0, size[2], dtype=np.float32),
(X, Y, Z) = np.meshgrid(np.arange(0, grid[0], dtype=np.float32),
np.arange(0, grid[1], dtype=np.float32),
np.arange(0, grid[2], dtype=np.float32),
indexing='ij')
# first by translating the center onto 0, 0.5 shifts the voxel origin onto the center of the voxel
@ -174,27 +173,27 @@ for name in filenames:
np.seterr(over='ignore', under='ignore')
if options.periodic: # use padding to achieve periodicity
inside = np.zeros(size, dtype=bool)
inside = np.zeros(grid, dtype=bool)
for i in range(2):
for j in range(2):
for k in range(2):
inside = inside | ( # Most of this is handling the padding
np.abs(X[size[0] * i : size[0] * (i+1),
size[1] * j : size[1] * (j+1),
size[2] * k : size[2] * (k+1)])**options.exponent[0] +
np.abs(Y[size[0] * i : size[0] * (i+1),
size[1] * j : size[1] * (j+1),
size[2] * k : size[2] * (k+1)])**options.exponent[1] +
np.abs(Z[size[0] * i : size[0] * (i+1),
size[1] * j : size[1] * (j+1),
size[2] * k : size[2] * (k+1)])**options.exponent[2] < 1)
np.abs(X[grid[0] * i : grid[0] * (i+1),
grid[1] * j : grid[1] * (j+1),
grid[2] * k : grid[2] * (k+1)])**options.exponent[0] +
np.abs(Y[grid[0] * i : grid[0] * (i+1),
grid[1] * j : grid[1] * (j+1),
grid[2] * k : grid[2] * (k+1)])**options.exponent[1] +
np.abs(Z[grid[0] * i : grid[0] * (i+1),
grid[1] * j : grid[1] * (j+1),
grid[2] * k : grid[2] * (k+1)])**options.exponent[2] <= 1.0)
microstructure = np.where(inside, options.fill, microstructure)
else: # nonperiodic, much lighter on resources
microstructure = np.where(np.abs(X)**options.exponent[0] +
np.abs(Y)**options.exponent[1] +
np.abs(Z)**options.exponent[2] < 1, options.fill, microstructure)
np.abs(Z)**options.exponent[2] <= 1.0, options.fill, microstructure)
np.seterr(**old_settings) # Reset warnings to old state
newInfo['microstructures'] = microstructure.max()
@ -207,14 +206,13 @@ for name in filenames:
#--- write header ---------------------------------------------------------------------------------
table.info_clear()
table.info_append([
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
"homogenization\t{homog}".format(homog=info['homogenization']),
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
extra_header
"grid\ta {}\tb {}\tc {}".format(*info['grid']),
"size\tx {}\ty {}\tz {}".format(*info['size']),
"origin\tx {}\ty {}\tz {}".format(*info['origin']),
"homogenization\t{}".format(info['homogenization']),
"microstructures\t{}".format(newInfo['microstructures']),
])
table.labels_clear()
table.head_write()

3
processing/pre/geom_canvas.py
View File

@ -143,14 +143,13 @@ for name in filenames:
# --- write header ---------------------------------------------------------------------------------
table.info_clear()
table.info_append([
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {}\tb {}\tc {}".format(*newInfo['grid']),
"size\tx {}\ty {}\tz {}".format(*newInfo['size']),
"origin\tx {}\ty {}\tz {}".format(*newInfo['origin']),
"homogenization\t{}".format(info['homogenization']),
"microstructures\t{}".format(newInfo['microstructures']),
extra_header
])
table.labels_clear()
table.head_write()

29
processing/pre/geom_fromVoronoiTessellation.py
View File

@ -37,12 +37,9 @@ def findClosestSeed(fargs):
return np.argmin(dist) # seed point closest to point
def laguerreTessellation(undeformed, coords, weights, grains, nonperiodic = False, cpus = 2):
def laguerreTessellation(undeformed, coords, weights, grains, periodic = True, cpus = 2):
copies = \
np.array([
[ 0, 0, 0 ],
]).astype(float) if nonperiodic else \
np.array([
[ -1,-1,-1 ],
[ 0,-1,-1 ],
@ -71,7 +68,10 @@ def laguerreTessellation(undeformed, coords, weights, grains, nonperiodic = Fals
[ -1, 1, 1 ],
[ 0, 1, 1 ],
[ 1, 1, 1 ],
]).astype(float)*info['size']
]).astype(float)*info['size'] if periodic else \
np.array([
[ 0, 0, 0 ],
]).astype(float)
repeatweights = np.tile(weights,len(copies)).flatten(order='F') # Laguerre weights (1,2,3,1,2,3,...,1,2,3)
for i,vec in enumerate(copies): # periodic copies of seed points ...
@ -121,8 +121,8 @@ group.add_option('--cpus',
type = 'int', metavar = 'int',
help = 'number of parallel processes to use for Laguerre tessellation [%default]')
group.add_option('--nonperiodic',
dest = 'nonperiodic',
action = 'store_true',
dest = 'periodic',
action = 'store_false',
help = 'nonperiodic tessellation')
parser.add_option_group(group)
@ -144,6 +144,10 @@ group.add_option('-o',
dest = 'origin',
type = 'float', nargs = 3, metavar=' '.join(['float']*3),
help = 'origin of grid')
group.add_option('--nonnormalized',
dest = 'normalized',
action = 'store_false',
help = 'seed coordinates are not normalized to a unit cube')
parser.add_option_group(group)
@ -206,7 +210,8 @@ parser.set_defaults(pos = 'pos',
phase = 1,
cpus = 2,
laguerre = False,
nonperiodic = False,
periodic = True,
normalized = True,
config = True,
)
(options,filenames) = parser.parse_args()
@ -248,7 +253,7 @@ for name in filenames:
for i in range(3):
if info['size'][i] <= 0.0: # any invalid size?
info['size'][i] = float(info['grid'][i])/max(info['grid']) # normalize to grid
remarks.append('rescaling size {} to {}...'.format({0:'x',1:'y',2:'z'}[i],info['size'][i]))
remarks.append('rescaling size {} to {}...'.format(['x','y','z'][i],info['size'][i]))
if table.label_dimension(options.pos) != 3:
errors.append('seed positions "{}" have dimension {}.'.format(options.pos,
@ -256,6 +261,7 @@ for name in filenames:
else:
labels += [options.pos]
if not options.normalized: remarks.append('using real-space seed coordinates...')
if not hasEulers: remarks.append('missing seed orientations...')
else: labels += [options.eulers]
if not hasGrains: remarks.append('missing seed microstructure indices...')
@ -272,7 +278,8 @@ for name in filenames:
# ------------------------------------------ read seeds ---------------------------------------
table.data_readArray(labels)
coords = table.data[:,table.label_indexrange(options.pos)] * info['size']
coords = table.data[:,table.label_indexrange(options.pos)] * info['size'] if options.normalized \
else table.data[:,table.label_indexrange(options.pos)] - info['origin']
eulers = table.data[:,table.label_indexrange(options.eulers)] if hasEulers \
else np.zeros(3*len(coords))
grains = table.data[:,table.label_indexrange(options.microstructure)].astype('i') if hasGrains \
@ -291,7 +298,7 @@ for name in filenames:
damask.util.croak('tessellating...')
grid = np.vstack(meshgrid2(x, y, z)).reshape(3,-1).T
indices = laguerreTessellation(grid, coords, weights, grains, options.nonperiodic, options.cpus)
indices = laguerreTessellation(grid, coords, weights, grains, options.periodic, options.cpus)
# --- write header ------------------------------------------------------------------------

3
processing/pre/geom_mirror.py
View File

@ -95,14 +95,13 @@ for name in filenames:
table.labels_clear()
table.info_clear()
table.info_append([
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
"homogenization\t{homog}".format(homog=info['homogenization']),
"microstructures\t{microstructures}".format(microstructures=info['microstructures']),
extra_header
])
table.head_write()

102
processing/pre/geom_renumber.py Executable file
View File

@ -0,0 +1,102 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import numpy as np
import damask
from optparse import OptionParser
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
#--------------------------------------------------------------------------------------------------
# MAIN
#--------------------------------------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog [file[s]]', description = """
renumber sorted microstructure indices to 1,...,N.
""", version=scriptID)
(options, filenames) = parser.parse_args()
# --- loop over input files ----------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames:
try: table = damask.ASCIItable(name = name,
buffered = False,
labeled = False)
except: continue
damask.util.report(scriptName,name)
# --- interpret header ---------------------------------------------------------------------------
table.head_read()
info,extra_header = table.head_getGeom()
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
'size x y z: %s'%(' x '.join(map(str,info['size']))),
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
'homogenization: %i'%info['homogenization'],
'microstructures: %i'%info['microstructures'],
])
errors = []
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
if np.any(info['size'] <= 0.0): errors.append('invalid size x y z.')
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True)
continue
# --- read data ----------------------------------------------------------------------------------
microstructure = table.microstructure_read(info['grid']) # read microstructure
# --- do work ------------------------------------------------------------------------------------
newInfo = {
'origin': np.zeros(3,'d'),
'microstructures': 0,
}
grainIDs = np.unique(microstructure)
renumbered = np.copy(microstructure)
for i, oldID in enumerate(grainIDs):
renumbered = np.where(microstructure == oldID, i+1, renumbered)
newInfo['microstructures'] = len(grainIDs)
# --- report -------------------------------------------------------------------------------------
remarks = []
if ( newInfo['microstructures'] != info['microstructures']):
remarks.append('--> microstructures: %i'%newInfo['microstructures'])
if remarks != []: damask.util.croak(remarks)
# --- write header -------------------------------------------------------------------------------
table.labels_clear()
table.info_clear()
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
"homogenization\t{homog}".format(homog=info['homogenization']),
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
])
table.head_write()
# --- write microstructure information -----------------------------------------------------------
format = '%{}i'.format(int(math.floor(math.log10(newInfo['microstructures'])+1)))
table.data = renumbered.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
table.data_writeArray(format,delimiter = ' ')
# --- output finalization ------------------------------------------------------------------------
table.close() # close ASCII table

3
processing/pre/geom_rescale.py
View File

@ -139,14 +139,13 @@ for name in filenames:
# --- write header ---------------------------------------------------------------------------------
table.info_clear()
table.info_append([
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
"homogenization\t{homog}".format(homog=info['homogenization']),
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
extra_header
])
table.labels_clear()
table.head_write()

40
processing/pre/geom_rotate.py
View File

@ -49,16 +49,18 @@ parser.set_defaults(degrees = False,
(options, filenames) = parser.parse_args()
if sum(x is not None for x in [options.rotation,options.eulers,options.matrix,options.quaternion]) !=1:
if sum(x is not None for x in [options.rotation,options.eulers,options.matrix,options.quaternion]) != 1:
parser.error('not exactly one rotation specified...')
toRadian = math.pi/180. if options.degrees else 1.0
eulers = np.array(damask.orientation.Orientation(
quaternion=np.array(options.quaternion) if options.quaternion else None,
angleAxis =np.array(options.rotation) if options.rotation else None,
matrix =np.array(options.matrix) if options.matrix else None,
Eulers =np.array(options.eulers)*toRadian if options.eulers else None
).asEulers()) *180./math.pi
quaternion = np.array(options.quaternion) if options.quaternion else None,
angleAxis = np.array(options.rotation) if options.rotation else None,
matrix = np.array(options.matrix) if options.matrix else None,
Eulers = np.array(options.eulers) if options.eulers else None,
degrees = options.degrees,
).asEulers(degrees=True))
damask.util.croak('{} {} {}'.format(*eulers))
# --- loop over input files -------------------------------------------------------------------------
@ -67,7 +69,8 @@ if filenames == []: filenames = [None]
for name in filenames:
try:
table = damask.ASCIItable(name = name,
buffered = False, labeled = False)
buffered = False,
labeled = False)
except: continue
damask.util.report(scriptName,name)
@ -76,11 +79,11 @@ for name in filenames:
table.head_read()
info,extra_header = table.head_getGeom()
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
'size x y z: %s'%(' x '.join(map(str,info['size']))),
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
'homogenization: %i'%info['homogenization'],
'microstructures: %i'%info['microstructures'],
damask.util.croak(['grid a b c: {}'.format(' x '.join(map(str,info['grid']))),
'size x y z: {}'.format(' x '.join(map(str,info['size']))),
'origin x y z: {}'.format(' : '.join(map(str,info['origin']))),
'homogenization: {}'.format(info['homogenization']),
'microstructures: {}'.format(info['microstructures']),
])
errors = []
@ -95,10 +98,10 @@ for name in filenames:
microstructure = table.microstructure_read(info['grid']).reshape(info['grid'],order='F') # read microstructure
newGrainID = options.fill if options.fill > 0 else microstructure.max()+1
microstructure = ndimage.rotate(microstructure,eulers[2],(0,1),order=0,output=int,cval=newGrainID) # rotation around Z
microstructure = ndimage.rotate(microstructure,eulers[1],(1,2),order=0,output=int,cval=newGrainID) # rotation around X
microstructure = ndimage.rotate(microstructure,eulers[0],(0,1),order=0,output=int,cval=newGrainID) # rotation around Z
newGrainID = options.fill if options.fill != 0 else microstructure.max()+1
microstructure = ndimage.rotate(microstructure,eulers[2],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
microstructure = ndimage.rotate(microstructure,eulers[1],(1,2),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around X
microstructure = ndimage.rotate(microstructure,eulers[0],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
# --- do work ------------------------------------------------------------------------------------
@ -124,14 +127,13 @@ for name in filenames:
table.labels_clear()
table.info_clear()
table.info_append([
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
"homogenization\t{homog}".format(homog=info['homogenization']),
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
extra_header
])
table.head_write()

3
processing/pre/geom_translate.py
View File

@ -112,14 +112,13 @@ for name in filenames:
table.labels_clear()
table.info_clear()
table.info_append([
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=newInfo['origin']),
"homogenization\t{homog}".format(homog=info['homogenization']),
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
extra_header
])
table.head_write()

3
processing/pre/geom_vicinityOffset.py
View File

@ -94,14 +94,13 @@ for name in filenames:
table.labels_clear()
table.info_clear()
table.info_append([
table.info_append(extra_header+[
scriptID + ' ' + ' '.join(sys.argv[1:]),
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
"homogenization\t{homog}".format(homog=info['homogenization']),
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
extra_header
])
table.head_write()

2
processing/pre/seeds_fromGeom.py
View File

@ -31,7 +31,7 @@ parser.add_option('-b',
help = 'blacklist of grain IDs')
parser.add_option('-p',
'--pos', '--seedposition',
dest = 'position',
dest = 'pos',
type = 'string', metavar = 'string',
help = 'label of coordinates [%default]')

6
src/CPFEM.f90
View File

@ -113,7 +113,11 @@ end subroutine CPFEM_initAll
!> @brief allocate the arrays defined in module CPFEM and initialize them
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pInt
use IO, only: &

6
src/CPFEM2.f90
View File

@ -82,7 +82,11 @@ end subroutine CPFEM_initAll
!> @brief allocate the arrays defined in module CPFEM and initialize them
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pInt
use IO, only: &

1
src/DAMASK_marc2017.f90 Symbolic link
View File

@ -0,0 +1 @@
DAMASK_marc.f90

7
src/DAMASK_spectral.f90 Executable file → Normal file
View File

@ -7,8 +7,11 @@
!> results
!--------------------------------------------------------------------------------------------------
program DAMASK_spectral
use, intrinsic :: &
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pInt, &
pLongInt, &

6
src/FEsolving.f90
View File

@ -43,7 +43,11 @@ contains
!> solver the information is provided by the interface module
!--------------------------------------------------------------------------------------------------
subroutine FE_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: &
debug_level, &
debug_FEsolving, &

18
src/IO.f90
View File

@ -81,7 +81,11 @@ contains
!> @brief only outputs revision number
!--------------------------------------------------------------------------------------------------
subroutine IO_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
implicit none
@ -1557,13 +1561,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (400_pInt)
msg = 'matrix inversion error'
case (401_pInt)
msg = 'math_check: quat -> axisAngle -> quat 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'
msg = 'math_check failed'
case (405_pInt)
msg = 'I_TO_HALTON-error: an input base BASE is <= 1'
case (406_pInt)
@ -1587,12 +1585,14 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (601_pInt)
msg = 'Ping-Pong needed when using non-local plasticity'
case (602_pInt)
msg = 'invalid element/IP/component (grain) selected for debug'
msg = 'invalid selection for debug'
!-------------------------------------------------------------------------------------------------
! DAMASK_marc errors
case (700_pInt)
msg = 'invalid materialpoint result requested'
case (701_pInt)
msg = 'not supported input file format, use Marc 2016 or earlier'
!-------------------------------------------------------------------------------------------------
! errors related to spectral solver

6
src/constitutive.f90
View File

@ -37,7 +37,11 @@ contains
!> @brief allocates arrays pointing to array of the various constitutive modules
!--------------------------------------------------------------------------------------------------
subroutine constitutive_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pReal
use debug, only: &

46
src/crystallite.f90
View File

@ -137,7 +137,11 @@ contains
!> @brief allocates and initialize per grain variables
!--------------------------------------------------------------------------------------------------
subroutine crystallite_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: &
debug_info, &
debug_reset, &
@ -3084,35 +3088,49 @@ logical function crystallite_stateJump(ipc,ip,el)
implicit none
integer(pInt), intent(in):: &
el, & ! element index
ip, & ! integration point index
el, & ! element index
ip, & ! integration point index
ipc ! grain index
integer(pInt) :: &
c, &
p, &
mySource, &
myOffsetPlasticDeltaState, &
myOffsetSourceDeltaState, &
mySizePlasticDeltaState, &
mySizeSourceDeltaState
c= phasememberAt(ipc,ip,el)
c = phasememberAt(ipc,ip,el)
p = phaseAt(ipc,ip,el)
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe(1:3,1:3,ipc,ip,el), ipc,ip,el)
mySizePlasticDeltaState = plasticState(p)%sizeDeltaState
if( any(IEEE_is_NaN(plasticState(p)%deltaState(:,c)))) then ! NaN occured in deltaState
myOffsetPlasticDeltaState = plasticState(p)%offsetDeltaState
mySizePlasticDeltaState = plasticState(p)%sizeDeltaState
if( any(IEEE_is_NaN(plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)))) then ! NaN occured in deltaState
crystallite_stateJump = .false.
return
endif
plasticState(p)%state(1:mySizePlasticDeltaState,c) = plasticState(p)%state(1:mySizePlasticDeltaState,c) + &
plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) = &
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) + &
plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
do mySource = 1_pInt, phase_Nsources(p)
mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState
myOffsetSourceDeltaState = sourceState(p)%p(mySource)%offsetDeltaState
mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
if (any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)))) then ! NaN occured in deltaState
crystallite_stateJump = .false.
return
endif
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) = &
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) + &
sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
myOffsetSourceDeltaState + mySizeSourceDeltaState,c) = &
sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
myOffsetSourceDeltaState + mySizeSourceDeltaState,c) + &
sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)
enddo
@ -3123,7 +3141,9 @@ logical function crystallite_stateJump(ipc,ip,el)
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state (1:mySizePlasticDeltaState,c)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', &
plasticState(p)%state(myOffsetSourceDeltaState + 1_pInt : &
myOffsetSourceDeltaState + mySizeSourceDeltaState,c)
endif
#endif

6
src/damage_local.f90
View File

@ -41,7 +41,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine damage_local_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_read, &
IO_lc, &

6
src/damage_none.f90
View File

@ -16,7 +16,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine damage_none_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pInt
use IO, only: &

6
src/damage_nonlocal.f90
View File

@ -46,7 +46,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_read, &
IO_lc, &

6
src/debug.f90
View File

@ -102,7 +102,11 @@ contains
!> @brief reads in parameters from debug.config and allocates arrays
!--------------------------------------------------------------------------------------------------
subroutine debug_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use numerics, only: &
nStress, &
nState, &

8
src/homogenization.f90
View File

@ -71,7 +71,11 @@ contains
!> @brief module initialization
!--------------------------------------------------------------------------------------------------
subroutine homogenization_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use math, only: &
math_I3
use debug, only: &
@ -471,7 +475,7 @@ subroutine homogenization_init
flush(6)
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

6
src/homogenization_RGC.f90
View File

@ -72,7 +72,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pReal, &
pInt

6
src/homogenization_isostrain.f90
View File

@ -49,7 +49,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_isostrain_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pReal
use debug, only: &

6
src/homogenization_none.f90
View File

@ -18,7 +18,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_none_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pReal, &
pInt

6
src/hydrogenflux_cahnhilliard.f90
View File

@ -51,7 +51,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine hydrogenflux_cahnhilliard_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_read, &
IO_lc, &

6
src/hydrogenflux_isoconc.f90
View File

@ -16,7 +16,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine hydrogenflux_isoconc_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
pReal, &
pInt

6
src/kinematics_cleavage_opening.f90
View File

@ -51,7 +51,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_cleavage_opening_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: &
debug_level,&
debug_constitutive,&

6
src/kinematics_hydrogen_strain.f90
View File

@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_hydrogen_strain_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: &
debug_level,&
debug_constitutive,&

6
src/kinematics_slipplane_opening.f90
View File

@ -51,7 +51,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: &
debug_level,&
debug_constitutive,&

6
src/kinematics_thermal_expansion.f90
View File

@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: &
debug_level,&
debug_constitutive,&

6
src/kinematics_vacancy_strain.f90
View File

@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_vacancy_strain_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: &
debug_level,&
debug_constitutive,&

6
src/lattice.f90
View File

@ -1243,7 +1243,11 @@ contains
!> @brief Module initialization
!--------------------------------------------------------------------------------------------------
subroutine lattice_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_open_file,&
IO_open_jobFile_stat, &

6
src/material.f90
View File

@ -367,7 +367,11 @@ contains
!> material.config
!--------------------------------------------------------------------------------------------------
subroutine material_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_error, &
IO_open_file, &

745
src/math.f90
View File

@ -3,10 +3,9 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, 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
use, intrinsic :: iso_c_binding
use prec, only: &
pReal, &
pInt
@ -162,13 +161,10 @@ module math
math_rotate_forward3333, &
math_limit
private :: &
math_partition, &
halton, &
halton_memory, &
halton_ndim_set, &
halton_seed_set, &
i_to_halton, &
prime
halton_seed_set
contains
@ -177,23 +173,21 @@ contains
!--------------------------------------------------------------------------------------------------
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 prec, only: tol_math_check
use numerics, only: &
fixedSeed
use IO, only: IO_error, IO_timeStamp
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use numerics, only: fixedSeed
use IO, only: IO_timeStamp
implicit none
integer(pInt) :: i
real(pReal), dimension(3,3) :: R,R2
real(pReal), dimension(3) :: Eulers,v
real(pReal), dimension(4) :: q,q2,axisangle,randTest
real(pReal), dimension(4) :: randTest
! the following variables are system dependend and shound NOT be pInt
integer :: randSize ! gfortran requires a variable length to compile
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
character(len=64) :: error_msg
write(6,'(/,a)') ' <<<+- math init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
@ -216,7 +210,7 @@ subroutine math_init
enddo
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)
enddo
write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest
@ -226,6 +220,25 @@ subroutine math_init
call halton_seed_set(int(randInit(1), 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 ---
q = math_qRand() ! random quaternion
@ -235,7 +248,8 @@ subroutine math_init
q2 = math_axisAngleToQ(axisangle(1:3),axisangle(4))
if ( any(abs( q-q2) > tol_math_check) .and. &
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)
endif
@ -244,8 +258,9 @@ subroutine math_init
q2 = math_RtoQ(R)
if ( any(abs( q-q2) > tol_math_check) .and. &
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)))
call IO_error(402_pInt,ext_msg=error_msg)
write (error_msg, '(a,e14.6)' ) &
'quat -> R -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
call IO_error(401_pInt,ext_msg=error_msg)
endif
! +++ q -> euler -> q +++
@ -253,28 +268,46 @@ subroutine math_init
q2 = math_EulerToQ(Eulers)
if ( any(abs( q-q2) > tol_math_check) .and. &
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)))
call IO_error(403_pInt,ext_msg=error_msg)
write (error_msg, '(a,e14.6)' ) &
'quat -> euler -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
call IO_error(401_pInt,ext_msg=error_msg)
endif
! +++ R -> euler -> R +++
Eulers = math_RtoEuler(R)
R2 = math_EulerToR(Eulers)
if ( any(abs( R-R2) > tol_math_check) ) then
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',maxval(abs( R-R2))
call IO_error(404_pInt,ext_msg=error_msg)
write (error_msg, '(a,e14.6)' ) &
'R -> euler -> R maximum deviation ',maxval(abs( R-R2))
call IO_error(401_pInt,ext_msg=error_msg)
endif
! +++ check rotation sense of q and R +++
q = math_qRand() ! random quaternion
call halton(3_pInt,v) ! random vector
R = math_qToR(q)
if (any(abs(math_mul33x3(R,v) - math_qRot(q,v)) > tol_math_check)) then
write(6,'(a,4(f8.3,1x))') 'q',q
call IO_error(409_pInt)
write (error_msg, '(a)' ) 'R(q)*v has different sense than q*v'
call IO_error(401_pInt,ext_msg=error_msg)
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
!--------------------------------------------------------------------------------------------------
@ -290,58 +323,73 @@ recursive subroutine math_qsort(a, istart, iend)
integer(pInt) :: ipivot
if (istart < iend) then
ipivot = math_partition(a,istart, iend)
ipivot = qsort_partition(a,istart, iend)
call math_qsort(a, istart, ipivot-1_pInt)
call math_qsort(a, ipivot+1_pInt, iend)
endif
!--------------------------------------------------------------------------------------------------
contains
!-------------------------------------------------------------------------------------------------
!> @brief Partitioning required for quicksort
!-------------------------------------------------------------------------------------------------
integer(pInt) function qsort_partition(a, istart, iend)
implicit none
integer(pInt), dimension(:,:), intent(inout) :: a
integer(pInt), intent(in) :: istart,iend
integer(pInt) :: i,j,k,tmp
do
! find the first element on the right side less than or equal to the pivot point
do j = iend, istart, -1_pInt
if (a(1,j) <= a(1,istart)) exit
enddo
! find the first element on the left side greater than the pivot point
do i = istart, iend
if (a(1,i) > a(1,istart)) exit
enddo
if (i < j) then ! if the indexes do not cross, exchange values
do k = 1_pInt, int(size(a,1_pInt), pInt)
tmp = a(k,i)
a(k,i) = a(k,j)
a(k,j) = tmp
enddo
else ! if they do cross, exchange left value with pivot and return with the partition index
do k = 1_pInt, int(size(a,1_pInt), pInt)
tmp = a(k,istart)
a(k,istart) = a(k,j)
a(k,j) = tmp
enddo
qsort_partition = j
return
endif
enddo
end function qsort_partition
end subroutine math_qsort
!--------------------------------------------------------------------------------------------------
!> @brief Partitioning required for quicksort
!> @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, ...
!--------------------------------------------------------------------------------------------------
integer(pInt) function math_partition(a, istart, iend)
pure function math_expand(what,how)
implicit none
integer(pInt), dimension(:,:), intent(inout) :: a
integer(pInt), intent(in) :: istart,iend
integer(pInt) :: d,i,j,k,x,tmp
real(pReal), dimension(:), intent(in) :: what
integer(pInt), dimension(:), intent(in) :: how
real(pReal), dimension(sum(how)) :: math_expand
integer(pInt) :: i
d = int(size(a,1_pInt), pInt) ! number of linked data
! set the starting and ending points, and the pivot point
i = istart
j = iend
x = a(1,istart)
do
! find the first element on the right side less than or equal to the pivot point
do j = j, istart, -1_pInt
if (a(1,j) <= x) exit
enddo
! find the first element on the left side greater than the pivot point
do i = i, iend
if (a(1,i) > x) exit
enddo
if (i < j) then ! if the indexes do not cross, exchange values
do k = 1_pInt,d
tmp = a(k,i)
a(k,i) = a(k,j)
a(k,j) = tmp
enddo
else ! if they do cross, exchange left value with pivot and return with the partition index
do k = 1_pInt,d
tmp = a(k,istart)
a(k,istart) = a(k,j)
a(k,j) = tmp
enddo
math_partition = j
return
endif
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_partition
end function math_expand
!--------------------------------------------------------------------------------------------------
@ -658,22 +706,20 @@ end function math_mul66x6
pure function math_exp33(A,n)
implicit none
integer(pInt) :: i,order
integer(pInt) :: i
integer(pInt), intent(in), optional :: n
real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3,3) :: B,math_exp33
real(pReal) :: invfac
order = merge(n,5_pInt,present(n))
real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3,3) :: B, math_exp33
real(pReal) :: invFac
B = math_I3 ! init
invfac = 1.0_pReal ! 0!
invFac = 1.0_pReal ! 0!
math_exp33 = B ! A^0 = eye2
do i = 1_pInt,n
invfac = invfac/real(i,pReal) ! invfac = 1/i!
do i = 1_pInt, merge(n,5_pInt,present(n))
invFac = invFac/real(i,pReal) ! invfac = 1/i!
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
end function math_exp33
@ -1972,6 +2018,7 @@ subroutine math_eigenValuesVectorsSym33(m,values,vectors)
! 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))
end subroutine math_eigenValuesVectorsSym33
@ -2211,6 +2258,7 @@ function math_eigenvaluesSym33(m)
cos((phi+4.0_pReal*PI)/3.0_pReal) &
] + invariants(1)/3.0_pReal
endif
end function math_eigenvaluesSym33
@ -2254,6 +2302,52 @@ subroutine halton(ndim, r)
value_halton(1) = 1_pInt
call halton_memory ('INC', 'SEED', 1_pInt, value_halton)
!--------------------------------------------------------------------------------------------------
contains
!-------------------------------------------------------------------------------------------------
!> @brief computes an element of a Halton sequence.
!> @details Only the absolute value of SEED is considered. SEED = 0 is allowed, and returns R = 0.
!> @details Halton Bases should be distinct prime numbers. This routine only checks that each base
!> @details is greater than 1.
!> @details Reference:
!> @details J.H. Halton: On the efficiency of certain quasi-random sequences of points in evaluating
!> @details multi-dimensional integrals, Numerische Mathematik, Volume 2, pages 84-90, 1960.
!> @author John Burkardt
!-------------------------------------------------------------------------------------------------
subroutine i_to_halton (seed, base, ndim, r)
use IO, only: &
IO_error
implicit none
integer(pInt), intent(in) :: &
ndim, & !< dimension of the sequence
seed !< index of the desired element
integer(pInt), intent(in), dimension(ndim) :: base !< Halton bases
real(pReal), intent(out), dimension(ndim) :: r !< the SEED-th element of the Halton sequence for the given bases
real(pReal), dimension(ndim) :: base_inv
integer(pInt), dimension(ndim) :: &
digit, &
seed2
seed2 = abs(seed)
r = 0.0_pReal
if (any (base(1:ndim) <= 1_pInt)) call IO_error(error_ID=405_pInt)
base_inv(1:ndim) = 1.0_pReal / real (base(1:ndim), pReal)
do while ( any ( seed2(1:ndim) /= 0_pInt) )
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim))
r(1:ndim) = r(1:ndim) + real ( digit(1:ndim), pReal) * base_inv(1:ndim)
base_inv(1:ndim) = base_inv(1:ndim) / real ( base(1:ndim), pReal)
seed2(1:ndim) = seed2(1:ndim) / base(1:ndim)
enddo
end subroutine i_to_halton
end subroutine halton
@ -2270,6 +2364,8 @@ end subroutine halton
!> @author John Burkardt
!--------------------------------------------------------------------------------------------------
subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
use IO, only: &
IO_lc
implicit none
character(len = *), intent(in) :: &
@ -2279,8 +2375,8 @@ subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
integer(pInt), allocatable, save, dimension(:) :: base
logical, save :: first_call = .true.
integer(pInt), intent(in) :: ndim !< dimension of the quantity
integer(pInt):: i
integer(pInt), save :: ndim_save = 0_pInt, seed = 1_pInt
integer(pInt) :: i
if (first_call) then
ndim_save = 1_pInt
@ -2291,60 +2387,237 @@ subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
!--------------------------------------------------------------------------------------------------
! Set
if(action_halton(1:1) == 'S' .or. action_halton(1:1) == 's') then
if(name_halton(1:1) == 'B' .or. name_halton(1:1) == 'b') then
if(ndim_save /= ndim) then
deallocate(base)
ndim_save = ndim
allocate(base(ndim_save))
endif
base(1:ndim) = value_halton(1:ndim)
elseif(name_halton(1:1) == 'N' .or. name_halton(1:1) == 'n') then
actionHalton: if(IO_lc(action_halton(1:1)) == 's') then
nameSet: if(IO_lc(name_halton(1:1)) == 'b') then
if(ndim_save /= ndim) ndim_save = ndim
base = value_halton(1:ndim)
elseif(IO_lc(name_halton(1:1)) == 'n') then nameSet
if(ndim_save /= value_halton(1)) then
deallocate(base)
ndim_save = value_halton(1)
allocate(base(ndim_save))
do i = 1_pInt, ndim_save
base(i) = prime (i)
enddo
base = [(prime(i),i=1_pInt,ndim_save)]
else
ndim_save = value_halton(1)
endif
elseif(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
elseif(IO_lc(name_halton(1:1)) == 's') then nameSet
seed = value_halton(1)
endif
endif nameSet
!--------------------------------------------------------------------------------------------------
! Get
elseif(action_halton(1:1) == 'G' .or. action_halton(1:1) == 'g') then
if(name_halton(1:1) == 'B' .or. name_halton(1:1) == 'b') then
elseif(IO_lc(action_halton(1:1)) == 'g') then actionHalton
nameGet: if(IO_lc(name_halton(1:1)) == 'b') then
if(ndim /= ndim_save) then
deallocate(base)
ndim_save = ndim
allocate(base(ndim_save))
do i = 1_pInt, ndim_save
base(i) = prime(i)
enddo
ndim_save = ndim
base = [(prime(i),i=1_pInt,ndim_save)]
endif
value_halton(1:ndim_save) = base(1:ndim_save)
elseif(name_halton(1:1) == 'N' .or. name_halton(1:1) == 'n') then
elseif(IO_lc(name_halton(1:1)) == 'n') then nameGet
value_halton(1) = ndim_save
elseif(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
elseif(IO_lc(name_halton(1:1)) == 's') then nameGet
value_halton(1) = seed
endif
endif nameGet
!--------------------------------------------------------------------------------------------------
! Increment
elseif(action_halton(1:1) == 'I' .or. action_halton(1:1) == 'i') then
if(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
seed = seed + value_halton(1)
elseif(IO_lc(action_halton(1:1)) == 'i') then actionHalton
if(IO_lc(name_halton(1:1)) == 's') seed = seed + value_halton(1)
endif actionHalton
!--------------------------------------------------------------------------------------------------
contains
!--------------------------------------------------------------------------------------------------
!> @brief returns any of the first 1500 prime numbers.
!> @details n = 0 is legal, returning PRIME = 1.
!> @details Reference:
!> @details Milton Abramowitz and Irene Stegun: Handbook of Mathematical Functions,
!> @details US Department of Commerce, 1964, pages 870-873.
!> @details Daniel Zwillinger: CRC Standard Mathematical Tables and Formulae,
!> @details 30th Edition, CRC Press, 1996, pages 95-98.
!> @author John Burkardt
!--------------------------------------------------------------------------------------------------
integer(pInt) function prime(n)
use IO, only: &
IO_error
implicit none
integer(pInt), intent(in) :: n !< index of the desired prime number
integer(pInt), dimension(0:1500), parameter :: &
npvec = int([&
1, &
2, 3, 5, 7, 11, 13, 17, 19, 23, 29, &
31, 37, 41, 43, 47, 53, 59, 61, 67, 71, &
73, 79, 83, 89, 97, 101, 103, 107, 109, 113, &
127, 131, 137, 139, 149, 151, 157, 163, 167, 173, &
179, 181, 191, 193, 197, 199, 211, 223, 227, 229, &
233, 239, 241, 251, 257, 263, 269, 271, 277, 281, &
283, 293, 307, 311, 313, 317, 331, 337, 347, 349, &
353, 359, 367, 373, 379, 383, 389, 397, 401, 409, &
419, 421, 431, 433, 439, 443, 449, 457, 461, 463, &
467, 479, 487, 491, 499, 503, 509, 521, 523, 541, &
! 101:200
547, 557, 563, 569, 571, 577, 587, 593, 599, 601, &
607, 613, 617, 619, 631, 641, 643, 647, 653, 659, &
661, 673, 677, 683, 691, 701, 709, 719, 727, 733, &
739, 743, 751, 757, 761, 769, 773, 787, 797, 809, &
811, 821, 823, 827, 829, 839, 853, 857, 859, 863, &
877, 881, 883, 887, 907, 911, 919, 929, 937, 941, &
947, 953, 967, 971, 977, 983, 991, 997, 1009, 1013, &
1019, 1021, 1031, 1033, 1039, 1049, 1051, 1061, 1063, 1069, &
1087, 1091, 1093, 1097, 1103, 1109, 1117, 1123, 1129, 1151, &
1153, 1163, 1171, 1181, 1187, 1193, 1201, 1213, 1217, 1223, &
! 201:300
1229, 1231, 1237, 1249, 1259, 1277, 1279, 1283, 1289, 1291, &
1297, 1301, 1303, 1307, 1319, 1321, 1327, 1361, 1367, 1373, &
1381, 1399, 1409, 1423, 1427, 1429, 1433, 1439, 1447, 1451, &
1453, 1459, 1471, 1481, 1483, 1487, 1489, 1493, 1499, 1511, &
1523, 1531, 1543, 1549, 1553, 1559, 1567, 1571, 1579, 1583, &
1597, 1601, 1607, 1609, 1613, 1619, 1621, 1627, 1637, 1657, &
1663, 1667, 1669, 1693, 1697, 1699, 1709, 1721, 1723, 1733, &
1741, 1747, 1753, 1759, 1777, 1783, 1787, 1789, 1801, 1811, &
1823, 1831, 1847, 1861, 1867, 1871, 1873, 1877, 1879, 1889, &
1901, 1907, 1913, 1931, 1933, 1949, 1951, 1973, 1979, 1987, &
! 301:400
1993, 1997, 1999, 2003, 2011, 2017, 2027, 2029, 2039, 2053, &
2063, 2069, 2081, 2083, 2087, 2089, 2099, 2111, 2113, 2129, &
2131, 2137, 2141, 2143, 2153, 2161, 2179, 2203, 2207, 2213, &
2221, 2237, 2239, 2243, 2251, 2267, 2269, 2273, 2281, 2287, &
2293, 2297, 2309, 2311, 2333, 2339, 2341, 2347, 2351, 2357, &
2371, 2377, 2381, 2383, 2389, 2393, 2399, 2411, 2417, 2423, &
2437, 2441, 2447, 2459, 2467, 2473, 2477, 2503, 2521, 2531, &
2539, 2543, 2549, 2551, 2557, 2579, 2591, 2593, 2609, 2617, &
2621, 2633, 2647, 2657, 2659, 2663, 2671, 2677, 2683, 2687, &
2689, 2693, 2699, 2707, 2711, 2713, 2719, 2729, 2731, 2741, &
! 401:500
2749, 2753, 2767, 2777, 2789, 2791, 2797, 2801, 2803, 2819, &
2833, 2837, 2843, 2851, 2857, 2861, 2879, 2887, 2897, 2903, &
2909, 2917, 2927, 2939, 2953, 2957, 2963, 2969, 2971, 2999, &
3001, 3011, 3019, 3023, 3037, 3041, 3049, 3061, 3067, 3079, &
3083, 3089, 3109, 3119, 3121, 3137, 3163, 3167, 3169, 3181, &
3187, 3191, 3203, 3209, 3217, 3221, 3229, 3251, 3253, 3257, &
3259, 3271, 3299, 3301, 3307, 3313, 3319, 3323, 3329, 3331, &
3343, 3347, 3359, 3361, 3371, 3373, 3389, 3391, 3407, 3413, &
3433, 3449, 3457, 3461, 3463, 3467, 3469, 3491, 3499, 3511, &
3517, 3527, 3529, 3533, 3539, 3541, 3547, 3557, 3559, 3571, &
! 501:600
3581, 3583, 3593, 3607, 3613, 3617, 3623, 3631, 3637, 3643, &
3659, 3671, 3673, 3677, 3691, 3697, 3701, 3709, 3719, 3727, &
3733, 3739, 3761, 3767, 3769, 3779, 3793, 3797, 3803, 3821, &
3823, 3833, 3847, 3851, 3853, 3863, 3877, 3881, 3889, 3907, &
3911, 3917, 3919, 3923, 3929, 3931, 3943, 3947, 3967, 3989, &
4001, 4003, 4007, 4013, 4019, 4021, 4027, 4049, 4051, 4057, &
4073, 4079, 4091, 4093, 4099, 4111, 4127, 4129, 4133, 4139, &
4153, 4157, 4159, 4177, 4201, 4211, 4217, 4219, 4229, 4231, &
4241, 4243, 4253, 4259, 4261, 4271, 4273, 4283, 4289, 4297, &
4327, 4337, 4339, 4349, 4357, 4363, 4373, 4391, 4397, 4409, &
! 601:700
4421, 4423, 4441, 4447, 4451, 4457, 4463, 4481, 4483, 4493, &
4507, 4513, 4517, 4519, 4523, 4547, 4549, 4561, 4567, 4583, &
4591, 4597, 4603, 4621, 4637, 4639, 4643, 4649, 4651, 4657, &
4663, 4673, 4679, 4691, 4703, 4721, 4723, 4729, 4733, 4751, &
4759, 4783, 4787, 4789, 4793, 4799, 4801, 4813, 4817, 4831, &
4861, 4871, 4877, 4889, 4903, 4909, 4919, 4931, 4933, 4937, &
4943, 4951, 4957, 4967, 4969, 4973, 4987, 4993, 4999, 5003, &
5009, 5011, 5021, 5023, 5039, 5051, 5059, 5077, 5081, 5087, &
5099, 5101, 5107, 5113, 5119, 5147, 5153, 5167, 5171, 5179, &
5189, 5197, 5209, 5227, 5231, 5233, 5237, 5261, 5273, 5279, &
! 701:800
5281, 5297, 5303, 5309, 5323, 5333, 5347, 5351, 5381, 5387, &
5393, 5399, 5407, 5413, 5417, 5419, 5431, 5437, 5441, 5443, &
5449, 5471, 5477, 5479, 5483, 5501, 5503, 5507, 5519, 5521, &
5527, 5531, 5557, 5563, 5569, 5573, 5581, 5591, 5623, 5639, &
5641, 5647, 5651, 5653, 5657, 5659, 5669, 5683, 5689, 5693, &
5701, 5711, 5717, 5737, 5741, 5743, 5749, 5779, 5783, 5791, &
5801, 5807, 5813, 5821, 5827, 5839, 5843, 5849, 5851, 5857, &
5861, 5867, 5869, 5879, 5881, 5897, 5903, 5923, 5927, 5939, &
5953, 5981, 5987, 6007, 6011, 6029, 6037, 6043, 6047, 6053, &
6067, 6073, 6079, 6089, 6091, 6101, 6113, 6121, 6131, 6133, &
! 801:900
6143, 6151, 6163, 6173, 6197, 6199, 6203, 6211, 6217, 6221, &
6229, 6247, 6257, 6263, 6269, 6271, 6277, 6287, 6299, 6301, &
6311, 6317, 6323, 6329, 6337, 6343, 6353, 6359, 6361, 6367, &
6373, 6379, 6389, 6397, 6421, 6427, 6449, 6451, 6469, 6473, &
6481, 6491, 6521, 6529, 6547, 6551, 6553, 6563, 6569, 6571, &
6577, 6581, 6599, 6607, 6619, 6637, 6653, 6659, 6661, 6673, &
6679, 6689, 6691, 6701, 6703, 6709, 6719, 6733, 6737, 6761, &
6763, 6779, 6781, 6791, 6793, 6803, 6823, 6827, 6829, 6833, &
6841, 6857, 6863, 6869, 6871, 6883, 6899, 6907, 6911, 6917, &
6947, 6949, 6959, 6961, 6967, 6971, 6977, 6983, 6991, 6997, &
! 901:1000
7001, 7013, 7019, 7027, 7039, 7043, 7057, 7069, 7079, 7103, &
7109, 7121, 7127, 7129, 7151, 7159, 7177, 7187, 7193, 7207, &
7211, 7213, 7219, 7229, 7237, 7243, 7247, 7253, 7283, 7297, &
7307, 7309, 7321, 7331, 7333, 7349, 7351, 7369, 7393, 7411, &
7417, 7433, 7451, 7457, 7459, 7477, 7481, 7487, 7489, 7499, &
7507, 7517, 7523, 7529, 7537, 7541, 7547, 7549, 7559, 7561, &
7573, 7577, 7583, 7589, 7591, 7603, 7607, 7621, 7639, 7643, &
7649, 7669, 7673, 7681, 7687, 7691, 7699, 7703, 7717, 7723, &
7727, 7741, 7753, 7757, 7759, 7789, 7793, 7817, 7823, 7829, &
7841, 7853, 7867, 7873, 7877, 7879, 7883, 7901, 7907, 7919, &
! 1001:1100
7927, 7933, 7937, 7949, 7951, 7963, 7993, 8009, 8011, 8017, &
8039, 8053, 8059, 8069, 8081, 8087, 8089, 8093, 8101, 8111, &
8117, 8123, 8147, 8161, 8167, 8171, 8179, 8191, 8209, 8219, &
8221, 8231, 8233, 8237, 8243, 8263, 8269, 8273, 8287, 8291, &
8293, 8297, 8311, 8317, 8329, 8353, 8363, 8369, 8377, 8387, &
8389, 8419, 8423, 8429, 8431, 8443, 8447, 8461, 8467, 8501, &
8513, 8521, 8527, 8537, 8539, 8543, 8563, 8573, 8581, 8597, &
8599, 8609, 8623, 8627, 8629, 8641, 8647, 8663, 8669, 8677, &
8681, 8689, 8693, 8699, 8707, 8713, 8719, 8731, 8737, 8741, &
8747, 8753, 8761, 8779, 8783, 8803, 8807, 8819, 8821, 8831, &
! 1101:1200
8837, 8839, 8849, 8861, 8863, 8867, 8887, 8893, 8923, 8929, &
8933, 8941, 8951, 8963, 8969, 8971, 8999, 9001, 9007, 9011, &
9013, 9029, 9041, 9043, 9049, 9059, 9067, 9091, 9103, 9109, &
9127, 9133, 9137, 9151, 9157, 9161, 9173, 9181, 9187, 9199, &
9203, 9209, 9221, 9227, 9239, 9241, 9257, 9277, 9281, 9283, &
9293, 9311, 9319, 9323, 9337, 9341, 9343, 9349, 9371, 9377, &
9391, 9397, 9403, 9413, 9419, 9421, 9431, 9433, 9437, 9439, &
9461, 9463, 9467, 9473, 9479, 9491, 9497, 9511, 9521, 9533, &
9539, 9547, 9551, 9587, 9601, 9613, 9619, 9623, 9629, 9631, &
9643, 9649, 9661, 9677, 9679, 9689, 9697, 9719, 9721, 9733, &
! 1201:1300
9739, 9743, 9749, 9767, 9769, 9781, 9787, 9791, 9803, 9811, &
9817, 9829, 9833, 9839, 9851, 9857, 9859, 9871, 9883, 9887, &
9901, 9907, 9923, 9929, 9931, 9941, 9949, 9967, 9973, 10007, &
10009, 10037, 10039, 10061, 10067, 10069, 10079, 10091, 10093, 10099, &
10103, 10111, 10133, 10139, 10141, 10151, 10159, 10163, 10169, 10177, &
10181, 10193, 10211, 10223, 10243, 10247, 10253, 10259, 10267, 10271, &
10273, 10289, 10301, 10303, 10313, 10321, 10331, 10333, 10337, 10343, &
10357, 10369, 10391, 10399, 10427, 10429, 10433, 10453, 10457, 10459, &
10463, 10477, 10487, 10499, 10501, 10513, 10529, 10531, 10559, 10567, &
10589, 10597, 10601, 10607, 10613, 10627, 10631, 10639, 10651, 10657, &
! 1301:1400
10663, 10667, 10687, 10691, 10709, 10711, 10723, 10729, 10733, 10739, &
10753, 10771, 10781, 10789, 10799, 10831, 10837, 10847, 10853, 10859, &
10861, 10867, 10883, 10889, 10891, 10903, 10909, 19037, 10939, 10949, &
10957, 10973, 10979, 10987, 10993, 11003, 11027, 11047, 11057, 11059, &
11069, 11071, 11083, 11087, 11093, 11113, 11117, 11119, 11131, 11149, &
11159, 11161, 11171, 11173, 11177, 11197, 11213, 11239, 11243, 11251, &
11257, 11261, 11273, 11279, 11287, 11299, 11311, 11317, 11321, 11329, &
11351, 11353, 11369, 11383, 11393, 11399, 11411, 11423, 11437, 11443, &
11447, 11467, 11471, 11483, 11489, 11491, 11497, 11503, 11519, 11527, &
11549, 11551, 11579, 11587, 11593, 11597, 11617, 11621, 11633, 11657, &
! 1401:1500
11677, 11681, 11689, 11699, 11701, 11717, 11719, 11731, 11743, 11777, &
11779, 11783, 11789, 11801, 11807, 11813, 11821, 11827, 11831, 11833, &
11839, 11863, 11867, 11887, 11897, 11903, 11909, 11923, 11927, 11933, &
11939, 11941, 11953, 11959, 11969, 11971, 11981, 11987, 12007, 12011, &
12037, 12041, 12043, 12049, 12071, 12073, 12097, 12101, 12107, 12109, &
12113, 12119, 12143, 12149, 12157, 12161, 12163, 12197, 12203, 12211, &
12227, 12239, 12241, 12251, 12253, 12263, 12269, 12277, 12281, 12289, &
12301, 12323, 12329, 12343, 12347, 12373, 12377, 12379, 12391, 12401, &
12409, 12413, 12421, 12433, 12437, 12451, 12457, 12473, 12479, 12487, &
12491, 12497, 12503, 12511, 12517, 12527, 12539, 12541, 12547, 12553],pInt)
if (n < size(npvec)) then
prime = npvec(n)
else
call IO_error(error_ID=406_pInt)
end if
endif
end function prime
end subroutine halton_memory
@ -2353,7 +2626,7 @@ end subroutine halton_memory
!> @brief sets the dimension for a Halton sequence
!> @author John Burkardt
!--------------------------------------------------------------------------------------------------
subroutine halton_ndim_set (ndim)
subroutine halton_ndim_set(ndim)
implicit none
integer(pInt), intent(in) :: ndim !< dimension of the Halton vectors
@ -2390,252 +2663,6 @@ subroutine halton_seed_set(seed)
end subroutine halton_seed_set
!--------------------------------------------------------------------------------------------------
!> @brief computes an element of a Halton sequence.
!> @details Only the absolute value of SEED is considered. SEED = 0 is allowed, and returns R = 0.
!> @details Halton Bases should be distinct prime numbers. This routine only checks that each base
!> @details is greater than 1.
!> @details Reference:
!> @details J.H. Halton: On the efficiency of certain quasi-random sequences of points in evaluating
!> @details multi-dimensional integrals, Numerische Mathematik, Volume 2, pages 84-90, 1960.
!> @author John Burkardt
!--------------------------------------------------------------------------------------------------
subroutine i_to_halton (seed, base, ndim, r)
use IO, only: &
IO_error
implicit none
integer(pInt), intent(in) :: ndim !< dimension of the sequence
integer(pInt), intent(in), dimension(ndim) :: base !< Halton bases
real(pReal), dimension(ndim) :: base_inv
integer(pInt), dimension(ndim) :: digit
real(pReal), dimension(ndim), intent(out) ::r !< the SEED-th element of the Halton sequence for the given bases
integer(pInt) , intent(in):: seed !< index of the desired element
integer(pInt), dimension(ndim) :: seed2
seed2(1:ndim) = abs(seed)
r(1:ndim) = 0.0_pReal
if (any (base(1:ndim) <= 1_pInt)) call IO_error(error_ID=405_pInt)
base_inv(1:ndim) = 1.0_pReal / real (base(1:ndim), pReal)
do while ( any ( seed2(1:ndim) /= 0_pInt) )
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim))
r(1:ndim) = r(1:ndim) + real ( digit(1:ndim), pReal) * base_inv(1:ndim)
base_inv(1:ndim) = base_inv(1:ndim) / real ( base(1:ndim), pReal)
seed2(1:ndim) = seed2(1:ndim) / base(1:ndim)
enddo
end subroutine i_to_halton
!--------------------------------------------------------------------------------------------------
!> @brief returns any of the first 1500 prime numbers.
!> @details n <= 0 returns 1500, the index of the largest prime (12553) available.
!> @details n = 0 is legal, returning PRIME = 1.
!> @details Reference:
!> @details Milton Abramowitz and Irene Stegun: Handbook of Mathematical Functions,
!> @details US Department of Commerce, 1964, pages 870-873.
!> @details Daniel Zwillinger: CRC Standard Mathematical Tables and Formulae,
!> @details 30th Edition, CRC Press, 1996, pages 95-98.
!> @author John Burkardt
!--------------------------------------------------------------------------------------------------
integer(pInt) function prime(n)
use IO, only: &
IO_error
implicit none
integer(pInt), intent(in) :: n !< index of the desired prime number
integer(pInt), parameter :: PRIME_MAX = 1500_pInt
integer(pInt), save :: icall = 0_pInt
integer(pInt), save, dimension(PRIME_MAX) :: npvec
if (icall == 0_pInt) then
icall = 1_pInt
npvec = [&
2_pInt, 3_pInt, 5_pInt, 7_pInt, 11_pInt, 13_pInt, 17_pInt, 19_pInt, 23_pInt, 29_pInt, &
31_pInt, 37_pInt, 41_pInt, 43_pInt, 47_pInt, 53_pInt, 59_pInt, 61_pInt, 67_pInt, 71_pInt, &
73_pInt, 79_pInt, 83_pInt, 89_pInt, 97_pInt, 101_pInt, 103_pInt, 107_pInt, 109_pInt, 113_pInt, &
127_pInt, 131_pInt, 137_pInt, 139_pInt, 149_pInt, 151_pInt, 157_pInt, 163_pInt, 167_pInt, 173_pInt, &
179_pInt, 181_pInt, 191_pInt, 193_pInt, 197_pInt, 199_pInt, 211_pInt, 223_pInt, 227_pInt, 229_pInt, &
233_pInt, 239_pInt, 241_pInt, 251_pInt, 257_pInt, 263_pInt, 269_pInt, 271_pInt, 277_pInt, 281_pInt, &
283_pInt, 293_pInt, 307_pInt, 311_pInt, 313_pInt, 317_pInt, 331_pInt, 337_pInt, 347_pInt, 349_pInt, &
353_pInt, 359_pInt, 367_pInt, 373_pInt, 379_pInt, 383_pInt, 389_pInt, 397_pInt, 401_pInt, 409_pInt, &
419_pInt, 421_pInt, 431_pInt, 433_pInt, 439_pInt, 443_pInt, 449_pInt, 457_pInt, 461_pInt, 463_pInt, &
467_pInt, 479_pInt, 487_pInt, 491_pInt, 499_pInt, 503_pInt, 509_pInt, 521_pInt, 523_pInt, 541_pInt, &
! 101:200
547_pInt, 557_pInt, 563_pInt, 569_pInt, 571_pInt, 577_pInt, 587_pInt, 593_pInt, 599_pInt, 601_pInt, &
607_pInt, 613_pInt, 617_pInt, 619_pInt, 631_pInt, 641_pInt, 643_pInt, 647_pInt, 653_pInt, 659_pInt, &
661_pInt, 673_pInt, 677_pInt, 683_pInt, 691_pInt, 701_pInt, 709_pInt, 719_pInt, 727_pInt, 733_pInt, &
739_pInt, 743_pInt, 751_pInt, 757_pInt, 761_pInt, 769_pInt, 773_pInt, 787_pInt, 797_pInt, 809_pInt, &
811_pInt, 821_pInt, 823_pInt, 827_pInt, 829_pInt, 839_pInt, 853_pInt, 857_pInt, 859_pInt, 863_pInt, &
877_pInt, 881_pInt, 883_pInt, 887_pInt, 907_pInt, 911_pInt, 919_pInt, 929_pInt, 937_pInt, 941_pInt, &
947_pInt, 953_pInt, 967_pInt, 971_pInt, 977_pInt, 983_pInt, 991_pInt, 997_pInt, 1009_pInt, 1013_pInt, &
1019_pInt, 1021_pInt, 1031_pInt, 1033_pInt, 1039_pInt, 1049_pInt, 1051_pInt, 1061_pInt, 1063_pInt, 1069_pInt, &
1087_pInt, 1091_pInt, 1093_pInt, 1097_pInt, 1103_pInt, 1109_pInt, 1117_pInt, 1123_pInt, 1129_pInt, 1151_pInt, &
1153_pInt, 1163_pInt, 1171_pInt, 1181_pInt, 1187_pInt, 1193_pInt, 1201_pInt, 1213_pInt, 1217_pInt, 1223_pInt, &
! 201:300
1229_pInt, 1231_pInt, 1237_pInt, 1249_pInt, 1259_pInt, 1277_pInt, 1279_pInt, 1283_pInt, 1289_pInt, 1291_pInt, &
1297_pInt, 1301_pInt, 1303_pInt, 1307_pInt, 1319_pInt, 1321_pInt, 1327_pInt, 1361_pInt, 1367_pInt, 1373_pInt, &
1381_pInt, 1399_pInt, 1409_pInt, 1423_pInt, 1427_pInt, 1429_pInt, 1433_pInt, 1439_pInt, 1447_pInt, 1451_pInt, &
1453_pInt, 1459_pInt, 1471_pInt, 1481_pInt, 1483_pInt, 1487_pInt, 1489_pInt, 1493_pInt, 1499_pInt, 1511_pInt, &
1523_pInt, 1531_pInt, 1543_pInt, 1549_pInt, 1553_pInt, 1559_pInt, 1567_pInt, 1571_pInt, 1579_pInt, 1583_pInt, &
1597_pInt, 1601_pInt, 1607_pInt, 1609_pInt, 1613_pInt, 1619_pInt, 1621_pInt, 1627_pInt, 1637_pInt, 1657_pInt, &
1663_pInt, 1667_pInt, 1669_pInt, 1693_pInt, 1697_pInt, 1699_pInt, 1709_pInt, 1721_pInt, 1723_pInt, 1733_pInt, &
1741_pInt, 1747_pInt, 1753_pInt, 1759_pInt, 1777_pInt, 1783_pInt, 1787_pInt, 1789_pInt, 1801_pInt, 1811_pInt, &
1823_pInt, 1831_pInt, 1847_pInt, 1861_pInt, 1867_pInt, 1871_pInt, 1873_pInt, 1877_pInt, 1879_pInt, 1889_pInt, &
1901_pInt, 1907_pInt, 1913_pInt, 1931_pInt, 1933_pInt, 1949_pInt, 1951_pInt, 1973_pInt, 1979_pInt, 1987_pInt, &
! 301:400
1993_pInt, 1997_pInt, 1999_pInt, 2003_pInt, 2011_pInt, 2017_pInt, 2027_pInt, 2029_pInt, 2039_pInt, 2053_pInt, &
2063_pInt, 2069_pInt, 2081_pInt, 2083_pInt, 2087_pInt, 2089_pInt, 2099_pInt, 2111_pInt, 2113_pInt, 2129_pInt, &
2131_pInt, 2137_pInt, 2141_pInt, 2143_pInt, 2153_pInt, 2161_pInt, 2179_pInt, 2203_pInt, 2207_pInt, 2213_pInt, &
2221_pInt, 2237_pInt, 2239_pInt, 2243_pInt, 2251_pInt, 2267_pInt, 2269_pInt, 2273_pInt, 2281_pInt, 2287_pInt, &
2293_pInt, 2297_pInt, 2309_pInt, 2311_pInt, 2333_pInt, 2339_pInt, 2341_pInt, 2347_pInt, 2351_pInt, 2357_pInt, &
2371_pInt, 2377_pInt, 2381_pInt, 2383_pInt, 2389_pInt, 2393_pInt, 2399_pInt, 2411_pInt, 2417_pInt, 2423_pInt, &
2437_pInt, 2441_pInt, 2447_pInt, 2459_pInt, 2467_pInt, 2473_pInt, 2477_pInt, 2503_pInt, 2521_pInt, 2531_pInt, &
2539_pInt, 2543_pInt, 2549_pInt, 2551_pInt, 2557_pInt, 2579_pInt, 2591_pInt, 2593_pInt, 2609_pInt, 2617_pInt, &
2621_pInt, 2633_pInt, 2647_pInt, 2657_pInt, 2659_pInt, 2663_pInt, 2671_pInt, 2677_pInt, 2683_pInt, 2687_pInt, &
2689_pInt, 2693_pInt, 2699_pInt, 2707_pInt, 2711_pInt, 2713_pInt, 2719_pInt, 2729_pInt, 2731_pInt, 2741_pInt, &
! 401:500
2749_pInt, 2753_pInt, 2767_pInt, 2777_pInt, 2789_pInt, 2791_pInt, 2797_pInt, 2801_pInt, 2803_pInt, 2819_pInt, &
2833_pInt, 2837_pInt, 2843_pInt, 2851_pInt, 2857_pInt, 2861_pInt, 2879_pInt, 2887_pInt, 2897_pInt, 2903_pInt, &
2909_pInt, 2917_pInt, 2927_pInt, 2939_pInt, 2953_pInt, 2957_pInt, 2963_pInt, 2969_pInt, 2971_pInt, 2999_pInt, &
3001_pInt, 3011_pInt, 3019_pInt, 3023_pInt, 3037_pInt, 3041_pInt, 3049_pInt, 3061_pInt, 3067_pInt, 3079_pInt, &
3083_pInt, 3089_pInt, 3109_pInt, 3119_pInt, 3121_pInt, 3137_pInt, 3163_pInt, 3167_pInt, 3169_pInt, 3181_pInt, &
3187_pInt, 3191_pInt, 3203_pInt, 3209_pInt, 3217_pInt, 3221_pInt, 3229_pInt, 3251_pInt, 3253_pInt, 3257_pInt, &
3259_pInt, 3271_pInt, 3299_pInt, 3301_pInt, 3307_pInt, 3313_pInt, 3319_pInt, 3323_pInt, 3329_pInt, 3331_pInt, &
3343_pInt, 3347_pInt, 3359_pInt, 3361_pInt, 3371_pInt, 3373_pInt, 3389_pInt, 3391_pInt, 3407_pInt, 3413_pInt, &
3433_pInt, 3449_pInt, 3457_pInt, 3461_pInt, 3463_pInt, 3467_pInt, 3469_pInt, 3491_pInt, 3499_pInt, 3511_pInt, &
3517_pInt, 3527_pInt, 3529_pInt, 3533_pInt, 3539_pInt, 3541_pInt, 3547_pInt, 3557_pInt, 3559_pInt, 3571_pInt, &
! 501:600
3581_pInt, 3583_pInt, 3593_pInt, 3607_pInt, 3613_pInt, 3617_pInt, 3623_pInt, 3631_pInt, 3637_pInt, 3643_pInt, &
3659_pInt, 3671_pInt, 3673_pInt, 3677_pInt, 3691_pInt, 3697_pInt, 3701_pInt, 3709_pInt, 3719_pInt, 3727_pInt, &
3733_pInt, 3739_pInt, 3761_pInt, 3767_pInt, 3769_pInt, 3779_pInt, 3793_pInt, 3797_pInt, 3803_pInt, 3821_pInt, &
3823_pInt, 3833_pInt, 3847_pInt, 3851_pInt, 3853_pInt, 3863_pInt, 3877_pInt, 3881_pInt, 3889_pInt, 3907_pInt, &
3911_pInt, 3917_pInt, 3919_pInt, 3923_pInt, 3929_pInt, 3931_pInt, 3943_pInt, 3947_pInt, 3967_pInt, 3989_pInt, &
4001_pInt, 4003_pInt, 4007_pInt, 4013_pInt, 4019_pInt, 4021_pInt, 4027_pInt, 4049_pInt, 4051_pInt, 4057_pInt, &
4073_pInt, 4079_pInt, 4091_pInt, 4093_pInt, 4099_pInt, 4111_pInt, 4127_pInt, 4129_pInt, 4133_pInt, 4139_pInt, &
4153_pInt, 4157_pInt, 4159_pInt, 4177_pInt, 4201_pInt, 4211_pInt, 4217_pInt, 4219_pInt, 4229_pInt, 4231_pInt, &
4241_pInt, 4243_pInt, 4253_pInt, 4259_pInt, 4261_pInt, 4271_pInt, 4273_pInt, 4283_pInt, 4289_pInt, 4297_pInt, &
4327_pInt, 4337_pInt, 4339_pInt, 4349_pInt, 4357_pInt, 4363_pInt, 4373_pInt, 4391_pInt, 4397_pInt, 4409_pInt, &
! 601:700
4421_pInt, 4423_pInt, 4441_pInt, 4447_pInt, 4451_pInt, 4457_pInt, 4463_pInt, 4481_pInt, 4483_pInt, 4493_pInt, &
4507_pInt, 4513_pInt, 4517_pInt, 4519_pInt, 4523_pInt, 4547_pInt, 4549_pInt, 4561_pInt, 4567_pInt, 4583_pInt, &
4591_pInt, 4597_pInt, 4603_pInt, 4621_pInt, 4637_pInt, 4639_pInt, 4643_pInt, 4649_pInt, 4651_pInt, 4657_pInt, &
4663_pInt, 4673_pInt, 4679_pInt, 4691_pInt, 4703_pInt, 4721_pInt, 4723_pInt, 4729_pInt, 4733_pInt, 4751_pInt, &
4759_pInt, 4783_pInt, 4787_pInt, 4789_pInt, 4793_pInt, 4799_pInt, 4801_pInt, 4813_pInt, 4817_pInt, 4831_pInt, &
4861_pInt, 4871_pInt, 4877_pInt, 4889_pInt, 4903_pInt, 4909_pInt, 4919_pInt, 4931_pInt, 4933_pInt, 4937_pInt, &
4943_pInt, 4951_pInt, 4957_pInt, 4967_pInt, 4969_pInt, 4973_pInt, 4987_pInt, 4993_pInt, 4999_pInt, 5003_pInt, &
5009_pInt, 5011_pInt, 5021_pInt, 5023_pInt, 5039_pInt, 5051_pInt, 5059_pInt, 5077_pInt, 5081_pInt, 5087_pInt, &
5099_pInt, 5101_pInt, 5107_pInt, 5113_pInt, 5119_pInt, 5147_pInt, 5153_pInt, 5167_pInt, 5171_pInt, 5179_pInt, &
5189_pInt, 5197_pInt, 5209_pInt, 5227_pInt, 5231_pInt, 5233_pInt, 5237_pInt, 5261_pInt, 5273_pInt, 5279_pInt, &
! 701:800
5281_pInt, 5297_pInt, 5303_pInt, 5309_pInt, 5323_pInt, 5333_pInt, 5347_pInt, 5351_pInt, 5381_pInt, 5387_pInt, &
5393_pInt, 5399_pInt, 5407_pInt, 5413_pInt, 5417_pInt, 5419_pInt, 5431_pInt, 5437_pInt, 5441_pInt, 5443_pInt, &
5449_pInt, 5471_pInt, 5477_pInt, 5479_pInt, 5483_pInt, 5501_pInt, 5503_pInt, 5507_pInt, 5519_pInt, 5521_pInt, &
5527_pInt, 5531_pInt, 5557_pInt, 5563_pInt, 5569_pInt, 5573_pInt, 5581_pInt, 5591_pInt, 5623_pInt, 5639_pInt, &
5641_pInt, 5647_pInt, 5651_pInt, 5653_pInt, 5657_pInt, 5659_pInt, 5669_pInt, 5683_pInt, 5689_pInt, 5693_pInt, &
5701_pInt, 5711_pInt, 5717_pInt, 5737_pInt, 5741_pInt, 5743_pInt, 5749_pInt, 5779_pInt, 5783_pInt, 5791_pInt, &
5801_pInt, 5807_pInt, 5813_pInt, 5821_pInt, 5827_pInt, 5839_pInt, 5843_pInt, 5849_pInt, 5851_pInt, 5857_pInt, &
5861_pInt, 5867_pInt, 5869_pInt, 5879_pInt, 5881_pInt, 5897_pInt, 5903_pInt, 5923_pInt, 5927_pInt, 5939_pInt, &
5953_pInt, 5981_pInt, 5987_pInt, 6007_pInt, 6011_pInt, 6029_pInt, 6037_pInt, 6043_pInt, 6047_pInt, 6053_pInt, &
6067_pInt, 6073_pInt, 6079_pInt, 6089_pInt, 6091_pInt, 6101_pInt, 6113_pInt, 6121_pInt, 6131_pInt, 6133_pInt, &
! 801:900
6143_pInt, 6151_pInt, 6163_pInt, 6173_pInt, 6197_pInt, 6199_pInt, 6203_pInt, 6211_pInt, 6217_pInt, 6221_pInt, &
6229_pInt, 6247_pInt, 6257_pInt, 6263_pInt, 6269_pInt, 6271_pInt, 6277_pInt, 6287_pInt, 6299_pInt, 6301_pInt, &
6311_pInt, 6317_pInt, 6323_pInt, 6329_pInt, 6337_pInt, 6343_pInt, 6353_pInt, 6359_pInt, 6361_pInt, 6367_pInt, &
6373_pInt, 6379_pInt, 6389_pInt, 6397_pInt, 6421_pInt, 6427_pInt, 6449_pInt, 6451_pInt, 6469_pInt, 6473_pInt, &
6481_pInt, 6491_pInt, 6521_pInt, 6529_pInt, 6547_pInt, 6551_pInt, 6553_pInt, 6563_pInt, 6569_pInt, 6571_pInt, &
6577_pInt, 6581_pInt, 6599_pInt, 6607_pInt, 6619_pInt, 6637_pInt, 6653_pInt, 6659_pInt, 6661_pInt, 6673_pInt, &
6679_pInt, 6689_pInt, 6691_pInt, 6701_pInt, 6703_pInt, 6709_pInt, 6719_pInt, 6733_pInt, 6737_pInt, 6761_pInt, &
6763_pInt, 6779_pInt, 6781_pInt, 6791_pInt, 6793_pInt, 6803_pInt, 6823_pInt, 6827_pInt, 6829_pInt, 6833_pInt, &
6841_pInt, 6857_pInt, 6863_pInt, 6869_pInt, 6871_pInt, 6883_pInt, 6899_pInt, 6907_pInt, 6911_pInt, 6917_pInt, &
6947_pInt, 6949_pInt, 6959_pInt, 6961_pInt, 6967_pInt, 6971_pInt, 6977_pInt, 6983_pInt, 6991_pInt, 6997_pInt, &
! 901:1000
7001_pInt, 7013_pInt, 7019_pInt, 7027_pInt, 7039_pInt, 7043_pInt, 7057_pInt, 7069_pInt, 7079_pInt, 7103_pInt, &
7109_pInt, 7121_pInt, 7127_pInt, 7129_pInt, 7151_pInt, 7159_pInt, 7177_pInt, 7187_pInt, 7193_pInt, 7207_pInt, &
7211_pInt, 7213_pInt, 7219_pInt, 7229_pInt, 7237_pInt, 7243_pInt, 7247_pInt, 7253_pInt, 7283_pInt, 7297_pInt, &
7307_pInt, 7309_pInt, 7321_pInt, 7331_pInt, 7333_pInt, 7349_pInt, 7351_pInt, 7369_pInt, 7393_pInt, 7411_pInt, &
7417_pInt, 7433_pInt, 7451_pInt, 7457_pInt, 7459_pInt, 7477_pInt, 7481_pInt, 7487_pInt, 7489_pInt, 7499_pInt, &
7507_pInt, 7517_pInt, 7523_pInt, 7529_pInt, 7537_pInt, 7541_pInt, 7547_pInt, 7549_pInt, 7559_pInt, 7561_pInt, &
7573_pInt, 7577_pInt, 7583_pInt, 7589_pInt, 7591_pInt, 7603_pInt, 7607_pInt, 7621_pInt, 7639_pInt, 7643_pInt, &
7649_pInt, 7669_pInt, 7673_pInt, 7681_pInt, 7687_pInt, 7691_pInt, 7699_pInt, 7703_pInt, 7717_pInt, 7723_pInt, &
7727_pInt, 7741_pInt, 7753_pInt, 7757_pInt, 7759_pInt, 7789_pInt, 7793_pInt, 7817_pInt, 7823_pInt, 7829_pInt, &
7841_pInt, 7853_pInt, 7867_pInt, 7873_pInt, 7877_pInt, 7879_pInt, 7883_pInt, 7901_pInt, 7907_pInt, 7919_pInt, &
! 1001:1100
7927_pInt, 7933_pInt, 7937_pInt, 7949_pInt, 7951_pInt, 7963_pInt, 7993_pInt, 8009_pInt, 8011_pInt, 8017_pInt, &
8039_pInt, 8053_pInt, 8059_pInt, 8069_pInt, 8081_pInt, 8087_pInt, 8089_pInt, 8093_pInt, 8101_pInt, 8111_pInt, &
8117_pInt, 8123_pInt, 8147_pInt, 8161_pInt, 8167_pInt, 8171_pInt, 8179_pInt, 8191_pInt, 8209_pInt, 8219_pInt, &
8221_pInt, 8231_pInt, 8233_pInt, 8237_pInt, 8243_pInt, 8263_pInt, 8269_pInt, 8273_pInt, 8287_pInt, 8291_pInt, &
8293_pInt, 8297_pInt, 8311_pInt, 8317_pInt, 8329_pInt, 8353_pInt, 8363_pInt, 8369_pInt, 8377_pInt, 8387_pInt, &
8389_pInt, 8419_pInt, 8423_pInt, 8429_pInt, 8431_pInt, 8443_pInt, 8447_pInt, 8461_pInt, 8467_pInt, 8501_pInt, &
8513_pInt, 8521_pInt, 8527_pInt, 8537_pInt, 8539_pInt, 8543_pInt, 8563_pInt, 8573_pInt, 8581_pInt, 8597_pInt, &
8599_pInt, 8609_pInt, 8623_pInt, 8627_pInt, 8629_pInt, 8641_pInt, 8647_pInt, 8663_pInt, 8669_pInt, 8677_pInt, &
8681_pInt, 8689_pInt, 8693_pInt, 8699_pInt, 8707_pInt, 8713_pInt, 8719_pInt, 8731_pInt, 8737_pInt, 8741_pInt, &
8747_pInt, 8753_pInt, 8761_pInt, 8779_pInt, 8783_pInt, 8803_pInt, 8807_pInt, 8819_pInt, 8821_pInt, 8831_pInt, &
! 1101:1200
8837_pInt, 8839_pInt, 8849_pInt, 8861_pInt, 8863_pInt, 8867_pInt, 8887_pInt, 8893_pInt, 8923_pInt, 8929_pInt, &
8933_pInt, 8941_pInt, 8951_pInt, 8963_pInt, 8969_pInt, 8971_pInt, 8999_pInt, 9001_pInt, 9007_pInt, 9011_pInt, &
9013_pInt, 9029_pInt, 9041_pInt, 9043_pInt, 9049_pInt, 9059_pInt, 9067_pInt, 9091_pInt, 9103_pInt, 9109_pInt, &
9127_pInt, 9133_pInt, 9137_pInt, 9151_pInt, 9157_pInt, 9161_pInt, 9173_pInt, 9181_pInt, 9187_pInt, 9199_pInt, &
9203_pInt, 9209_pInt, 9221_pInt, 9227_pInt, 9239_pInt, 9241_pInt, 9257_pInt, 9277_pInt, 9281_pInt, 9283_pInt, &
9293_pInt, 9311_pInt, 9319_pInt, 9323_pInt, 9337_pInt, 9341_pInt, 9343_pInt, 9349_pInt, 9371_pInt, 9377_pInt, &
9391_pInt, 9397_pInt, 9403_pInt, 9413_pInt, 9419_pInt, 9421_pInt, 9431_pInt, 9433_pInt, 9437_pInt, 9439_pInt, &
9461_pInt, 9463_pInt, 9467_pInt, 9473_pInt, 9479_pInt, 9491_pInt, 9497_pInt, 9511_pInt, 9521_pInt, 9533_pInt, &
9539_pInt, 9547_pInt, 9551_pInt, 9587_pInt, 9601_pInt, 9613_pInt, 9619_pInt, 9623_pInt, 9629_pInt, 9631_pInt, &
9643_pInt, 9649_pInt, 9661_pInt, 9677_pInt, 9679_pInt, 9689_pInt, 9697_pInt, 9719_pInt, 9721_pInt, 9733_pInt, &
! 1201:1300
9739_pInt, 9743_pInt, 9749_pInt, 9767_pInt, 9769_pInt, 9781_pInt, 9787_pInt, 9791_pInt, 9803_pInt, 9811_pInt, &
9817_pInt, 9829_pInt, 9833_pInt, 9839_pInt, 9851_pInt, 9857_pInt, 9859_pInt, 9871_pInt, 9883_pInt, 9887_pInt, &
9901_pInt, 9907_pInt, 9923_pInt, 9929_pInt, 9931_pInt, 9941_pInt, 9949_pInt, 9967_pInt, 9973_pInt,10007_pInt, &
10009_pInt,10037_pInt,10039_pInt,10061_pInt,10067_pInt,10069_pInt,10079_pInt,10091_pInt,10093_pInt,10099_pInt, &
10103_pInt,10111_pInt,10133_pInt,10139_pInt,10141_pInt,10151_pInt,10159_pInt,10163_pInt,10169_pInt,10177_pInt, &
10181_pInt,10193_pInt,10211_pInt,10223_pInt,10243_pInt,10247_pInt,10253_pInt,10259_pInt,10267_pInt,10271_pInt, &
10273_pInt,10289_pInt,10301_pInt,10303_pInt,10313_pInt,10321_pInt,10331_pInt,10333_pInt,10337_pInt,10343_pInt, &
10357_pInt,10369_pInt,10391_pInt,10399_pInt,10427_pInt,10429_pInt,10433_pInt,10453_pInt,10457_pInt,10459_pInt, &
10463_pInt,10477_pInt,10487_pInt,10499_pInt,10501_pInt,10513_pInt,10529_pInt,10531_pInt,10559_pInt,10567_pInt, &
10589_pInt,10597_pInt,10601_pInt,10607_pInt,10613_pInt,10627_pInt,10631_pInt,10639_pInt,10651_pInt,10657_pInt, &
! 1301:1400
10663_pInt,10667_pInt,10687_pInt,10691_pInt,10709_pInt,10711_pInt,10723_pInt,10729_pInt,10733_pInt,10739_pInt, &
10753_pInt,10771_pInt,10781_pInt,10789_pInt,10799_pInt,10831_pInt,10837_pInt,10847_pInt,10853_pInt,10859_pInt, &
10861_pInt,10867_pInt,10883_pInt,10889_pInt,10891_pInt,10903_pInt,10909_pInt,19037_pInt,10939_pInt,10949_pInt, &
10957_pInt,10973_pInt,10979_pInt,10987_pInt,10993_pInt,11003_pInt,11027_pInt,11047_pInt,11057_pInt,11059_pInt, &
11069_pInt,11071_pInt,11083_pInt,11087_pInt,11093_pInt,11113_pInt,11117_pInt,11119_pInt,11131_pInt,11149_pInt, &
11159_pInt,11161_pInt,11171_pInt,11173_pInt,11177_pInt,11197_pInt,11213_pInt,11239_pInt,11243_pInt,11251_pInt, &
11257_pInt,11261_pInt,11273_pInt,11279_pInt,11287_pInt,11299_pInt,11311_pInt,11317_pInt,11321_pInt,11329_pInt, &
11351_pInt,11353_pInt,11369_pInt,11383_pInt,11393_pInt,11399_pInt,11411_pInt,11423_pInt,11437_pInt,11443_pInt, &
11447_pInt,11467_pInt,11471_pInt,11483_pInt,11489_pInt,11491_pInt,11497_pInt,11503_pInt,11519_pInt,11527_pInt, &
11549_pInt,11551_pInt,11579_pInt,11587_pInt,11593_pInt,11597_pInt,11617_pInt,11621_pInt,11633_pInt,11657_pInt, &
! 1401:1500
11677_pInt,11681_pInt,11689_pInt,11699_pInt,11701_pInt,11717_pInt,11719_pInt,11731_pInt,11743_pInt,11777_pInt, &
11779_pInt,11783_pInt,11789_pInt,11801_pInt,11807_pInt,11813_pInt,11821_pInt,11827_pInt,11831_pInt,11833_pInt, &
11839_pInt,11863_pInt,11867_pInt,11887_pInt,11897_pInt,11903_pInt,11909_pInt,11923_pInt,11927_pInt,11933_pInt, &
11939_pInt,11941_pInt,11953_pInt,11959_pInt,11969_pInt,11971_pInt,11981_pInt,11987_pInt,12007_pInt,12011_pInt, &
12037_pInt,12041_pInt,12043_pInt,12049_pInt,12071_pInt,12073_pInt,12097_pInt,12101_pInt,12107_pInt,12109_pInt, &
12113_pInt,12119_pInt,12143_pInt,12149_pInt,12157_pInt,12161_pInt,12163_pInt,12197_pInt,12203_pInt,12211_pInt, &
12227_pInt,12239_pInt,12241_pInt,12251_pInt,12253_pInt,12263_pInt,12269_pInt,12277_pInt,12281_pInt,12289_pInt, &
12301_pInt,12323_pInt,12329_pInt,12343_pInt,12347_pInt,12373_pInt,12377_pInt,12379_pInt,12391_pInt,12401_pInt, &
12409_pInt,12413_pInt,12421_pInt,12433_pInt,12437_pInt,12451_pInt,12457_pInt,12473_pInt,12479_pInt,12487_pInt, &
12491_pInt,12497_pInt,12503_pInt,12511_pInt,12517_pInt,12527_pInt,12539_pInt,12541_pInt,12547_pInt,12553_pInt]
endif
if(n < 0_pInt) then
prime = PRIME_MAX
else if (n == 0_pInt) then
prime = 1_pInt
else if (n <= PRIME_MAX) then
prime = npvec(n)
else
prime = -1_pInt
call IO_error(error_ID=406_pInt)
end if
end function prime
!--------------------------------------------------------------------------------------------------
!> @brief factorial
!--------------------------------------------------------------------------------------------------

36
src/mesh.f90
View File

@ -472,7 +472,11 @@ contains
!! Order and routines strongly depend on type of solver
!--------------------------------------------------------------------------------------------------
subroutine mesh_init(ip,el)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
#ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use DAMASK_interface
use IO, only: &
#ifdef Abaqus
@ -706,7 +710,6 @@ integer(pInt) function mesh_FEasCP(what,myID)
mesh_FEasCP = lookupMap(2_pInt,upper)
return
endif
! this might be the reason for the heap problems
binarySearch: do while (upper-lower > 1_pInt)
center = (lower+upper)/2_pInt
if (lookupMap(1_pInt,center) < myID) then
@ -1692,13 +1695,15 @@ subroutine mesh_marc_count_cpElements(fileUnit)
use IO, only: IO_lc, &
IO_stringValue, &
IO_stringPos, &
IO_countContinuousIntValues
IO_countContinuousIntValues, &
IO_error, &
IO_intValue
implicit none
integer(pInt), intent(in) :: fileUnit
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: i
integer(pInt) :: i, version
character(len=300):: line
mesh_NcpElems = 0_pInt
@ -1709,14 +1714,25 @@ subroutine mesh_marc_count_cpElements(fileUnit)
do
read (fileUnit,610,END=620) line
chunkPos = IO_stringPos(line)
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'hypoelastic') then
do i=1_pInt,3_pInt+hypoelasticTableStyle ! Skip 3 or 4 lines
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'version') then
version = IO_intValue(line,chunkPos,2_pInt)
if (version < 13) then ! Marc 2016 or earlier
rewind(fileUnit)
do
read (fileUnit,610,END=620) line
chunkPos = IO_stringPos(line)
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'hypoelastic') then
do i=1_pInt,3_pInt+hypoelasticTableStyle ! Skip 3 or 4 lines
read (fileUnit,610,END=620) line
enddo
mesh_NcpElems = mesh_NcpElems + IO_countContinuousIntValues(fileUnit) ! why not simply mesh_NcpElems = IO_countContinuousIntValues(fileUnit)? keyword hypoelastic might appear several times
exit
endif
enddo
mesh_NcpElems = mesh_NcpElems + IO_countContinuousIntValues(fileUnit) ! why not simply mesh_NcpElems = IO_countContinuousIntValues(fileUnit)?
exit
endif
else ! Marc2017 and later
call IO_error(error_ID=701_pInt)
end if
end if
enddo
620 end subroutine mesh_marc_count_cpElements

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