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})')