import subprocess import shlex import re 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,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)')