86 lines
2.6 KiB
Python
86 lines
2.6 KiB
Python
import subprocess
|
|
import shlex
|
|
import string
|
|
from pathlib import Path
|
|
|
|
from .. import environment
|
|
|
|
class Marc:
|
|
"""Wrapper to run DAMASK with MSCMarc."""
|
|
|
|
def __init__(self,version=environment.options['MARC_VERSION']):
|
|
"""
|
|
Create a Marc solver object.
|
|
|
|
Parameters
|
|
----------
|
|
version : float
|
|
Marc version
|
|
|
|
"""
|
|
self.solver = 'Marc'
|
|
self.version = version
|
|
|
|
@property
|
|
def library_path(self):
|
|
|
|
path_MSC = environment.options['MSC_ROOT']
|
|
path_lib = Path(f'{path_MSC}/mentat{self.version}/shlib/linux64')
|
|
|
|
return path_lib if path_lib.is_dir() else None
|
|
|
|
|
|
@property
|
|
def tools_path(self):
|
|
|
|
path_MSC = environment.options['MSC_ROOT']
|
|
path_tools = Path(f'{path_MSC}/marc{self.version}/tools')
|
|
|
|
return path_tools if path_tools.is_dir() else None
|
|
|
|
|
|
#--------------------------
|
|
def submit_job(self,
|
|
model,
|
|
job = 'job1',
|
|
logfile = False,
|
|
compile = False,
|
|
optimization = '',
|
|
):
|
|
|
|
|
|
usersub = environment.root_dir/'src/DAMASK_marc'
|
|
usersub = usersub.parent/(usersub.name + ('.f90' if compile else '.marc'))
|
|
if not usersub.is_file():
|
|
raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),usersub))
|
|
|
|
# Define options [see Marc Installation and Operation Guide, pp 23]
|
|
script = f'run_damask_{optimization}mp'
|
|
|
|
cmd = str(self.tools_path/Path(script)) + \
|
|
' -jid ' + model + '_' + job + \
|
|
' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no'
|
|
|
|
if compile: cmd += ' -u ' + str(usersub) + ' -save y'
|
|
else: cmd += ' -prog ' + str(usersub.with_suffix(''))
|
|
|
|
print('job submission {} compilation: {}'.format(('with' if compile else 'without'),usersub))
|
|
if logfile: log = open(logfile, 'w')
|
|
print(cmd)
|
|
process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT)
|
|
log.close()
|
|
process.wait()
|
|
|
|
#--------------------------
|
|
def exit_number_from_outFile(self,outFile=None):
|
|
exitnumber = -1
|
|
with open(outFile,'r') as fid_out:
|
|
for line in fid_out:
|
|
if (string.find(line,'tress iteration') != -1):
|
|
print(line)
|
|
elif (string.find(line,'Exit number') != -1):
|
|
substr = line[string.find(line,'Exit number'):len(line)]
|
|
exitnumber = int(substr[12:16])
|
|
|
|
return exitnumber
|