import subprocess import shlex import re from pathlib import Path from typing import Literal _marc_version = '2023.4' _marc_root = '/opt/msc' _damask_root = str(Path(__file__).parents[3]) class Marc: """Wrapper to run DAMASK with MSC Marc.""" def __init__(self, version: str = _marc_version, marc_root: str = _marc_root, damask_root: str = _damask_root): """ Create a Marc solver object. Parameters ---------- version : str, optional Marc version. Defaults to latest supported Marc version. marc_root : str, optional Marc root location. Defaults to /opt/msc. damask_root : str, optional DAMASK root location. Default is autodected based on location of the Python library. """ self.marc_version = 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: str, job: str, compile: bool = False, optimization: Literal['', 'l', 'h'] = '', env = None): """ 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 : {'', 'l', 'h'}, optional Optimization level '': -O0, 'l': -O1, or 'h': -O3. Defaults to ''. env : dict, optional Environment for execution. """ usersub = (self.damask_root/'src/Marc/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,env=env) if (m := re.search('Exit number ([0-9]+)',ret.stderr.decode())) is not None: if 3004 != (v := int(m.group(1))): print(ret.stderr.decode()) print(ret.stdout.decode()) raise RuntimeError(f'Marc simulation failed ({v})') else: print(ret.stderr.decode()) print(ret.stdout.decode()) raise RuntimeError('Marc simulation failed (unknown return value)')