DAMASK_EICMD/python/damask/solver/_marc.py

79 lines
2.4 KiB
Python

import subprocess
import shlex
import re
from pathlib import Path
_msc_version = 2021.2
_msc_root = '/opt/msc'
_damask_root = str(Path(__file__).parents[3])
class Marc:
"""Wrapper to run DAMASK with MSCMarc."""
def __init__(self,msc_version=_msc_version,msc_root=_msc_root,damask_root=_damask_root):
"""
Create a Marc solver object.
Parameters
----------
version : float
Marc 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 = 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')
return path_lib
@property
def tools_path(self):
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')
return path_tools
def submit_job(self, model, job,
compile = False,
optimization = ''):
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')
# 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)
ret = subprocess.run(shlex.split(cmd),capture_output=True)
try:
v = int(re.search('Exit number ([0-9]+)',ret.stderr.decode()).group(1))
if 3004 != v:
print(ret.stderr.decode())
print(ret.stdout.decode())
raise RuntimeError(f'Marc simulation failed ({v})')
except (AttributeError,ValueError):
print(ret.stderr.decode())
print(ret.stdout.decode())
raise RuntimeError('Marc simulation failed (unknown return value)')