91 lines
2.6 KiB
Python
91 lines
2.6 KiB
Python
import subprocess
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import shlex
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import re
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import io
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from pathlib import Path
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from .. import environment
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class Marc:
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"""Wrapper to run DAMASK with MSCMarc."""
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def __init__(self,version=environment.options['MSC_VERSION']):
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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.solver = 'Marc'
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self.version = version
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@property
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def library_path(self):
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path_MSC = environment.options['MSC_ROOT']
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path_lib = Path(f'{path_MSC}/mentat{self.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_MSC = environment.options['MSC_ROOT']
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path_tools = Path(f'{path_MSC}/marc{self.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,
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model,
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job = 'job1',
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logfile = False,
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compile = False,
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optimization = '',
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):
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usersub = environment.root_dir/'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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if logfile is not None:
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try:
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f = open(logfile,'w+')
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except TypeError:
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f = logfile
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else:
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f = io.StringIO()
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proc = subprocess.Popen(shlex.split(cmd),stdout=f,stderr=subprocess.STDOUT)
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proc.wait()
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f.seek(0)
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try:
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v = int(re.search('Exit number ([0-9]+)',''.join(f.readlines())).group(1))
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except (AttributeError,ValueError):
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raise RuntimeError('Marc simulation failed (unknown return value)')
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if v != 3004:
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raise RuntimeError(f'Marc simulation failed ({v})')
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