79 lines
2.4 KiB
Python
79 lines
2.4 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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_msc_version = 2020
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_msc_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 MSCMarc."""
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def __init__(self,msc_version=_msc_version,msc_root=_msc_root,damask_root=_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 : float
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Marc version
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"""
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self.msc_version = msc_version
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self.msc_root = Path(msc_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.msc_root/f'mentat{self.msc_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.msc_root/f'marc{self.msc_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, job,
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compile = False,
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optimization = ''):
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usersub = self.damask_root/'src/DAMASK_Marc'
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usersub = usersub.parent/(usersub.name + ('.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 = str(self.tools_path/script) + \
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' -jid ' + model+'_'+job + \
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' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no'
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cmd += ' -u ' + str(usersub) + ' -save y' if compile else \
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' -prog ' + str(usersub.with_suffix(''))
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print(cmd)
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ret = subprocess.run(shlex.split(cmd),capture_output=True)
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try:
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v = int(re.search('Exit number ([0-9]+)',ret.stderr.decode()).group(1))
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if 3004 != v:
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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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except (AttributeError,ValueError):
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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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