DAMASK_EICMD/python/damask/solver/_marc.py

86 lines
2.5 KiB
Python

import subprocess
import shlex
import re
import io
import os
from pathlib import Path
class Marc:
"""Wrapper to run DAMASK with MSCMarc."""
def __init__(self,version=os.environ['MSC_VERSION']):
"""
Create a Marc solver object.
Parameters
----------
version : float
Marc version
"""
self.solver = 'Marc'
self.version = version
@property
def library_path(self):
path_lib = Path(f'{os.environ["MSC_ROOT"]}/mentat{self.version}/shlib/linux64')
if not path_lib.is_dir():
raise FileNotFoundError(f'library path "{path_lib}" not found')
return path_lib
@property
def tools_path(self):
path_tools = Path(f'{os.environ["MSC_ROOT"]}/marc{self.version}/tools')
if not path_tools.is_dir():
raise FileNotFoundError(f'tools path "{path_tools}" not found')
return path_tools
def submit_job(self,
model,
job = 'job1',
logfile = False,
compile = False,
optimization = '',
):
usersub = Path(os.environ['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')
# Define options [see Marc Installation and Operation Guide, pp 23]
script = f'run_damask_{optimization}mp'
cmd = str(self.tools_path/script) + \
' -jid ' + model+'_'+job + \
' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no'
cmd += ' -u ' + str(usersub) + ' -save y' if compile else \
' -prog ' + str(usersub.with_suffix(''))
print(cmd)
if logfile is not None:
try:
f = open(logfile,'w+',newline='\n')
except TypeError:
f = logfile
else:
f = io.StringIO()
proc = subprocess.Popen(shlex.split(cmd),stdout=f,stderr=subprocess.STDOUT)
proc.wait()
f.seek(0)
try:
v = int(re.search('Exit number ([0-9]+)',''.join(f.readlines())).group(1))
except (AttributeError,ValueError):
raise RuntimeError('Marc simulation failed (unknown return value)')
if v != 3004:
raise RuntimeError(f'Marc simulation failed ({v})')