diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 3228d8db6..8c3a3b622 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -207,7 +207,7 @@ J2_plasticBehavior: stage: fortran script: - module load $IntelMarc $HDF5Marc $MSC - - J2_plasticBehavior/test.py + - MSC_VERSION=2020 J2_plasticBehavior/test.py except: - master - release diff --git a/env/CONFIG b/env/CONFIG deleted file mode 100644 index 4407f4d2b..000000000 --- a/env/CONFIG +++ /dev/null @@ -1,5 +0,0 @@ -# "set"-syntax needed only for tcsh (but works with bash and zsh) -set OMP_NUM_THREADS = 4 - -set MSC_ROOT = /opt/msc -set MSC_VERSION = 2020 diff --git a/env/DAMASK.sh b/env/DAMASK.sh index f8ccfc1e0..edf019921 100644 --- a/env/DAMASK.sh +++ b/env/DAMASK.sh @@ -19,17 +19,9 @@ fi DAMASK_ROOT=$(canonicalPath "$ENV_ROOT/../") - # shorthand command to change to DAMASK_ROOT directory eval "function DAMASK_root() { cd $DAMASK_ROOT; }" -# defining set() allows to source the same file for tcsh and bash, with and without space around = -set() { - export $1$2$3 - } -source $ENV_ROOT/CONFIG -unset -f set - # add BRANCH if DAMASK_ROOT is a git repository cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null @@ -86,9 +78,6 @@ if [ ! -z "$PS1" ]; then echo fi -export OMP_NUM_THREADS -export MSC_ROOT -export MSC_VERSION export DAMASK_ROOT export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH diff --git a/env/DAMASK.zsh b/env/DAMASK.zsh index 2c74657fd..07064eb7a 100644 --- a/env/DAMASK.zsh +++ b/env/DAMASK.zsh @@ -12,16 +12,6 @@ function blink { ENV_ROOT=$(canonicalPath "${0:a:h}") DAMASK_ROOT=$(canonicalPath "${0:a:h}'/..") -# shorthand command to change to DAMASK_ROOT directory -eval "function DAMASK_root() { cd $DAMASK_ROOT; }" - -# defining set() allows to source the same file for tcsh and zsh, with and without space around = -set() { - export $1$2$3 - } -source $ENV_ROOT/CONFIG -unset -f set - # add BRANCH if DAMASK_ROOT is a git repository cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null @@ -80,9 +70,6 @@ if [ ! -z "$PS1" ]; then echo fi -export OMP_NUM_THREADS -export MSC_ROOT -export MSC_VERSION export DAMASK_ROOT export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH diff --git a/installation/mods_MarcMentat/2020/Mentat_bin/submit4 b/installation/mods_MarcMentat/2020/Mentat_bin/submit4 index 55e3bcf03..09efd16bb 100644 --- a/installation/mods_MarcMentat/2020/Mentat_bin/submit4 +++ b/installation/mods_MarcMentat/2020/Mentat_bin/submit4 @@ -4,7 +4,7 @@ # Normal exit status is 0. # -DIR=%INSTALLDIR%/marc%VERSION% +DIR=%INSTALLDIR%/marc2020 if test $MARCDIR1 then diff --git a/installation/mods_MarcMentat/2020/Mentat_bin/submit5 b/installation/mods_MarcMentat/2020/Mentat_bin/submit5 index 8699cf076..d7cf96c68 100644 --- a/installation/mods_MarcMentat/2020/Mentat_bin/submit5 +++ b/installation/mods_MarcMentat/2020/Mentat_bin/submit5 @@ -4,7 +4,7 @@ # Normal exit status is 0. # -DIR=%INSTALLDIR%/marc%VERSION% +DIR=%INSTALLDIR%/marc2020 if test $MARCDIR1 then diff --git a/installation/mods_MarcMentat/2020/Mentat_bin/submit6 b/installation/mods_MarcMentat/2020/Mentat_bin/submit6 index a0179482f..f672ea667 100644 --- a/installation/mods_MarcMentat/2020/Mentat_bin/submit6 +++ b/installation/mods_MarcMentat/2020/Mentat_bin/submit6 @@ -4,7 +4,7 @@ # Normal exit status is 0. # -DIR=%INSTALLDIR%/marc%VERSION% +DIR=%INSTALLDIR%/marc2020 if test $MARCDIR1 then diff --git a/installation/mods_MarcMentat/apply_DAMASK_modifications.py b/installation/mods_MarcMentat/apply_DAMASK_modifications.py index 1cd93c47c..5b6b7a2ce 100755 --- a/installation/mods_MarcMentat/apply_DAMASK_modifications.py +++ b/installation/mods_MarcMentat/apply_DAMASK_modifications.py @@ -5,23 +5,36 @@ import glob import argparse from pathlib import Path -msc_version = os.environ['MSC_VERSION'] -msc_root = Path(os.environ['MSC_ROOT']) -damask_root = Path(os.environ['DAMASK_ROOT']) +import damask parser = argparse.ArgumentParser( - description='Apply DAMASK modification to MSC.Marc/Mentat', - epilog = f'MSC_ROOT={msc_root} and MSC_VERSION={msc_version} (from {damask_root}/env/CONFIG)') + description='Apply DAMASK modification to MSC.Marc/Mentat', + prog = Path(__file__).name, + formatter_class=argparse.ArgumentDefaultsHelpFormatter) + parser.add_argument('--editor', dest='editor', metavar='string', default='vi', help='Name of the editor for MSC.Mentat (executable)') +parser.add_argument('--msc-root', dest='msc_root', metavar='string', + default=damask.solver._marc._msc_root, + help='MSC.Marc/Mentat root directory') +parser.add_argument('--msc-version', dest='msc_version', metavar='string', + default=damask.solver._marc._msc_version, + help='MSC.Marc/Mentat version') +parser.add_argument('--damask-root', dest='damask_root', type=float, metavar = 'float', + default=damask.solver._marc._damask_root, + help='DAMASK root directory') +args = parser.parse_args() +msc_root = Path(args.msc_root) +damask_root = Path(args.damask_root) +msc_version = args.msc_version + def copy_and_replace(in_file,dst): with open(in_file) as f: content = f.read() content = content.replace('%INSTALLDIR%',str(msc_root)) - content = content.replace('%VERSION%', msc_version) - content = content.replace('%EDITOR%', parser.parse_args().editor) + content = content.replace('%EDITOR%', args.editor) with open(dst/Path(in_file).name,'w') as f: f.write(content) diff --git a/python/damask/solver/_marc.py b/python/damask/solver/_marc.py index 9fb07fc1c..b09394e67 100644 --- a/python/damask/solver/_marc.py +++ b/python/damask/solver/_marc.py @@ -1,13 +1,16 @@ import subprocess import shlex import re -import os from pathlib import Path +_msc_version = 2020 +_msc_root = '/opt/msc' +_damask_root = str(Path(__file__).parents[3]) + class Marc: """Wrapper to run DAMASK with MSCMarc.""" - def __init__(self,version=os.environ['MSC_VERSION']): + def __init__(self,msc_version=_msc_version,msc_root=_msc_root,damask_root=_damask_root): """ Create a Marc solver object. @@ -17,13 +20,14 @@ class Marc: Marc version """ - self.solver = 'Marc' - self.version = version + self.msc_version = msc_version + self.msc_root = Path(msc_root) + self.damask_root = Path(damask_root) @property def library_path(self): - path_lib = Path(f'{os.environ["MSC_ROOT"]}/mentat{self.version}/shlib/linux64') + path_lib = self.msc_root/f'mentat{self.msc_version}/shlib/linux64' if not path_lib.is_dir(): raise FileNotFoundError(f'library path "{path_lib}" not found') @@ -33,7 +37,7 @@ class Marc: @property def tools_path(self): - path_tools = Path(f'{os.environ["MSC_ROOT"]}/marc{self.version}/tools') + path_tools = self.msc_root/f'marc{self.msc_version}/tools' if not path_tools.is_dir(): raise FileNotFoundError(f'tools path "{path_tools}" not found') @@ -44,7 +48,7 @@ class Marc: compile = False, optimization = ''): - usersub = Path(os.environ['DAMASK_ROOT'])/'src/DAMASK_Marc' + usersub = self.damask_root/'src/DAMASK_Marc' usersub = usersub.parent/(usersub.name + ('.f90' if compile else '.marc')) if not usersub.is_file(): raise FileNotFoundError(f'subroutine ({"source" if compile else "binary"}) "{usersub}" not found') diff --git a/src/parallelization.f90 b/src/parallelization.f90 index 8413ba825..e850ff04d 100644 --- a/src/parallelization.f90 +++ b/src/parallelization.f90 @@ -84,13 +84,13 @@ subroutine parallelization_init !$ call get_environment_variable(name='OMP_NUM_THREADS',value=NumThreadsString,STATUS=got_env) !$ if(got_env /= 0) then -!$ print*, 'Could not determine value of $OMP_NUM_THREADS' -!$ OMP_NUM_THREADS = 1_pI32 +!$ print*, 'Could not get $OMP_NUM_THREADS, using default' +!$ OMP_NUM_THREADS = 4_pI32 !$ else !$ read(NumThreadsString,'(i6)') OMP_NUM_THREADS !$ if (OMP_NUM_THREADS < 1_pI32) then -!$ print*, 'Invalid OMP_NUM_THREADS: '//trim(NumThreadsString) -!$ OMP_NUM_THREADS = 1_pI32 +!$ print*, 'Invalid OMP_NUM_THREADS: "'//trim(NumThreadsString)//'", using default' +!$ OMP_NUM_THREADS = 4_pI32 !$ endif !$ endif !$ print'(a,i2)', ' OMP_NUM_THREADS: ',OMP_NUM_THREADS