runOS.py

import argparse
import os
import sys

os.environ.setdefault("DJANGO_SETTINGS_MODULE", "SciExpeM.settings")

import django

django.setup()

from OpenSmoke.OpenSmoke import OpenSmokeParser, OpenSmokeExecutor
from django.utils import timezone
from CurveMatching.CurveMatching import curveMatchingExecution
from django import db
from OpenSmoke.utils import createFolderSimulation_utils

import ExperimentManager.Models as Model
import subprocess


def execute(exp_id, chemModel_id, execution_id, solver, files):
    try:

        # Create SandBox
        import tempfile

        # create a temporary directory
        with tempfile.TemporaryDirectory() as sandbox:

            createFolderSimulation_utils(exp_id=exp_id, chemModel_id=chemModel_id, folderPath=sandbox)

            bashCommand = 'export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/eramalli/opensmoke++suite-0.13.0/lib && '
            bashCommand += ' /home/eramalli/.opensmoke/opensmoke++suite-0.15.0/bin/OpenSMOKEpp_' + solver + ".sh --input " + sandbox + "/input.dic"

            # print(bashCommand)
            #
            # print(sandbox)
            #
            # import time
            # time.sleep(300)

            process = subprocess.Popen(bashCommand, shell=True, stdout=subprocess.PIPE)
            output, error = process.communicate()
            output = output.decode('ascii')

            if 'Fatal error' in output:
                output = output[output.find('Fatal error:'):]
                msg_error = output[12: output.find('\n')].strip()
                execution = Model.Execution.objects.get(id=execution_id)
                if execution.execution_error:
                    execution.execution_error = execution.execution_error + '\n' + msg_error
                else:
                    execution.execution_error = msg_error
                execution.execution_end = timezone.localtime()
                execution.save()
            else:
                execution = Model.Execution.objects.get(id=execution_id)
                execution.execution_end = timezone.localtime()
                execution.save()

                for file in files:
                    OpenSmokeExecutor.read_output_OS_from_path(folder=sandbox, file_name=file, execution=execution)

                curveMatchingExecution(current_execution=execution)

    except Exception as e:
        execution = Model.Execution.objects.get(id=execution_id)
        execution.execution_end = timezone.localtime()
        if execution.execution_error:
            execution.execution_error = execution.execution_error + '\n' + str(e)
        else:
            execution.execution_error = str(e)
        execution.save()

    finally:
        db.close_old_connections()


def main():
    parser = argparse.ArgumentParser(description='Process some integers.')
    parser.add_argument('--files', metavar='F', type=str, nargs='+',
                        help='an integer for the accumulator')
    parser.add_argument('--exp', dest='experiment', type=int,
                        help='sum the integers (default: find the max)')
    parser.add_argument('--chem', dest='chemModel', type=int,
                        help='sum the integers (default: find the max)')
    parser.add_argument('--solver', dest='solver', type=str,
                        help='sum the integers (default: find the max)')
    parser.add_argument('--exec', dest='execution', type=int,
                        help='sum the integers (default: find the max)')

    args = parser.parse_args()

    exp_id = args.experiment
    chemModel_id = args.chemModel
    execution_id = args.execution
    solver = args.solver
    files = args.files

    execute(exp_id=exp_id, chemModel_id=chemModel_id, execution_id=execution_id, solver=solver, files=files)


if __name__ == "__main__":
    main()