DAMASK_EICMD/python/damask/solver/_marc.py

91 lines
2.8 KiB
Python

import subprocess
import shlex
import re
from pathlib import Path
_marc_version = 2021.2
_marc_root = '/opt/msc'
_damask_root = str(Path(__file__).parents[3])
class Marc:
"""Wrapper to run DAMASK with MSC Marc."""
def __init__(self,marc_version=_marc_version,marc_root=_marc_root,damask_root=_damask_root):
"""
Create a Marc solver object.
Parameters
----------
version : float
Marc version
"""
self.marc_version = marc_version
self.marc_root = Path(marc_root)
self.damask_root = Path(damask_root)
@property
def library_path(self):
path_lib = self.marc_root/f'mentat{self.marc_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.marc_root/f'marc{self.marc_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 = ''):
"""
Assemble command line arguments and call Marc executable.
Parameters
----------
model : str
Name of model.
job : str
Name of job.
compile : bool, optional
Compile DAMASK_Marc user subroutine (and save for future use).
Defaults to False.
optimization : str, optional
Optimization level '' (-O0), 'l' (-O1), or 'h' (-O3).
Defaults to ''.
"""
usersub = (self.damask_root/'src/DAMASK_Marc').with_suffix('.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 = f'{self.tools_path/script} -jid {model}_{job} -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no ' \
+ (f'-u {usersub} -save y' if compile else f'-prog {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)')