101 lines
3.3 KiB
Python
101 lines
3.3 KiB
Python
import subprocess
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import shlex
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import re
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from pathlib import Path
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from typing import Literal
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_marc_version = '2023.4'
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_marc_root = '/opt/msc'
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_damask_root = str(Path(__file__).parents[3])
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class Marc:
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"""Wrapper to run DAMASK with MSC Marc."""
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def __init__(self,
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version: str = _marc_version,
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marc_root: str = _marc_root,
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damask_root: str = _damask_root):
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"""
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Create a Marc solver object.
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Parameters
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----------
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version : str, optional
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Marc version. Defaults to latest supported Marc version.
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marc_root : str, optional
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Marc root location. Defaults to /opt/msc.
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damask_root : str, optional
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DAMASK root location.
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Default is autodected based on location of the Python library.
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"""
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self.marc_version = version
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self.marc_root = Path(marc_root)
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self.damask_root = Path(damask_root)
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@property
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def library_path(self):
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path_lib = self.marc_root/f'mentat{self.marc_version}/shlib/linux64'
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if not path_lib.is_dir():
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raise FileNotFoundError(f'library path "{path_lib}" not found')
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return path_lib
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@property
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def tools_path(self):
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path_tools = self.marc_root/f'marc{self.marc_version}/tools'
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if not path_tools.is_dir():
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raise FileNotFoundError(f'tools path "{path_tools}" not found')
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return path_tools
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def submit_job(self, model: str, job: str,
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compile: bool = False,
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optimization: Literal['', 'l', 'h'] = '',
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env = None):
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"""
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Assemble command line arguments and call Marc executable.
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Parameters
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----------
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model : str
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Name of model.
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job : str
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Name of job.
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compile : bool, optional
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Compile DAMASK_Marc user subroutine (and save for future use).
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Defaults to False.
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optimization : {'', 'l', 'h'}, optional
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Optimization level '': -O0, 'l': -O1, or 'h': -O3.
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Defaults to ''.
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env : dict, optional
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Environment for execution.
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"""
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usersub = (self.damask_root/'src/Marc/DAMASK_Marc').with_suffix('.f90' if compile else '.marc')
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if not usersub.is_file():
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raise FileNotFoundError(f'subroutine ({"source" if compile else "binary"}) "{usersub}" not found')
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# Define options [see Marc Installation and Operation Guide, pp 23]
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script = f'run_damask_{optimization}mp'
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cmd = f'{self.tools_path/script} -jid {model}_{job} -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no ' \
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+ (f'-u {usersub} -save y' if compile else f'-prog {usersub.with_suffix("")}')
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print(cmd)
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ret = subprocess.run(shlex.split(cmd),capture_output=True,env=env)
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if (m := re.search('Exit number ([0-9]+)',ret.stderr.decode())) is not None:
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if 3004 != (v := int(m.group(1))):
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print(ret.stderr.decode())
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print(ret.stdout.decode())
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raise RuntimeError(f'Marc simulation failed ({v})')
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else:
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print(ret.stderr.decode())
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print(ret.stdout.decode())
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raise RuntimeError('Marc simulation failed (unknown return value)')
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