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# coding: utf-8 | ||
# Copyright (c) Jan Janssen | ||
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import os | ||
from typing import List, Optional, Tuple, Union | ||
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# coding: utf-8 | ||
# Copyright (c) Jan Janssen | ||
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import getpass | ||
import importlib | ||
import os | ||
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# coding: utf-8 | ||
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department | ||
# Distributed under the terms of "New BSD License", see the LICENSE file. | ||
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import os | ||
from abc import ABC, abstractmethod | ||
from typing import List, Optional, Union | ||
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import pandas | ||
from jinja2 import Template | ||
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__author__ = "Niklas Siemer" | ||
__copyright__ = ( | ||
"Copyright 2022, Max-Planck-Institut für Eisenforschung GmbH - " | ||
"Computational Materials Design (CM) Department" | ||
) | ||
__version__ = "1.0" | ||
__maintainer__ = "Niklas Siemer" | ||
__email__ = "[email protected]" | ||
__status__ = "production" | ||
__date__ = "Aug 15, 2022" | ||
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class SchedulerCommands(ABC): | ||
@property | ||
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# coding: utf-8 | ||
import os | ||
from typing import List, Optional, Union | ||
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# coding: utf-8 | ||
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department | ||
# Distributed under the terms of "New BSD License", see the LICENSE file. | ||
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import pandas | ||
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from pysqa.wrapper.slurm import SlurmCommands | ||
from pysqa.wrapper.slurm import template as template_slurm | ||
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__author__ = "Jan Janssen" | ||
__copyright__ = ( | ||
"Copyright 2019, Max-Planck-Institut für Eisenforschung GmbH - " | ||
"Computational Materials Design (CM) Department" | ||
) | ||
__version__ = "1.0" | ||
__maintainer__ = "Jan Janssen" | ||
__email__ = "[email protected]" | ||
__status__ = "development" | ||
__date__ = "Feb 9, 2019" | ||
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template = template_slurm | ||
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# coding: utf-8 | ||
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department | ||
# Distributed under the terms of "New BSD License", see the LICENSE file. | ||
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import os | ||
from typing import List, Optional, Union | ||
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@@ -10,18 +6,6 @@ | |
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from pysqa.wrapper.abstract import SchedulerCommands | ||
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__author__ = "Jan Janssen" | ||
__copyright__ = ( | ||
"Copyright 2019, Max-Planck-Institut für Eisenforschung GmbH - " | ||
"Computational Materials Design (CM) Department" | ||
) | ||
__version__ = "1.0" | ||
__maintainer__ = "Jan Janssen" | ||
__email__ = "[email protected]" | ||
__status__ = "development" | ||
__date__ = "Feb 9, 2019" | ||
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template = """\ | ||
#!/bin/bash | ||
#BSUB -q queue | ||
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# coding: utf-8 | ||
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department | ||
# Distributed under the terms of "New BSD License", see the LICENSE file. | ||
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import os | ||
from typing import List, Optional, Union | ||
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from jinja2 import Template | ||
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from pysqa.wrapper.abstract import SchedulerCommands | ||
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__author__ = "Jan Janssen" | ||
__copyright__ = ( | ||
"Copyright 2019, Max-Planck-Institut für Eisenforschung GmbH - " | ||
"Computational Materials Design (CM) Department" | ||
) | ||
__version__ = "1.0" | ||
__maintainer__ = "Jan Janssen" | ||
__email__ = "[email protected]" | ||
__status__ = "development" | ||
__date__ = "Feb 9, 2019" | ||
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template = """\ | ||
#!/bin/bash | ||
#MSUB -N {{job_name}} | ||
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@@ -1,7 +1,3 @@ | ||
# coding: utf-8 | ||
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department | ||
# Distributed under the terms of "New BSD License", see the LICENSE file. | ||
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import os | ||
from typing import List, Optional, Union | ||
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@@ -11,18 +7,6 @@ | |
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from pysqa.wrapper.abstract import SchedulerCommands | ||
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__author__ = "Jan Janssen" | ||
__copyright__ = ( | ||
"Copyright 2019, Max-Planck-Institut für Eisenforschung GmbH - " | ||
"Computational Materials Design (CM) Department" | ||
) | ||
__version__ = "1.0" | ||
__maintainer__ = "Jan Janssen" | ||
__email__ = "[email protected]" | ||
__status__ = "production" | ||
__date__ = "Feb 9, 2019" | ||
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template = """\ | ||
#!/bin/bash | ||
#$ -N {{job_name}} | ||
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,7 +1,3 @@ | ||
# coding: utf-8 | ||
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department | ||
# Distributed under the terms of "New BSD License", see the LICENSE file. | ||
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import os | ||
from typing import List, Optional, Union | ||
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@@ -10,18 +6,6 @@ | |
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from pysqa.wrapper.abstract import SchedulerCommands | ||
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__author__ = "Jan Janssen" | ||
__copyright__ = ( | ||
"Copyright 2019, Max-Planck-Institut für Eisenforschung GmbH - " | ||
"Computational Materials Design (CM) Department" | ||
) | ||
__version__ = "1.0" | ||
__maintainer__ = "Jan Janssen" | ||
__email__ = "[email protected]" | ||
__status__ = "development" | ||
__date__ = "Feb 9, 2019" | ||
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template = """\ | ||
#!/bin/bash | ||
#SBATCH --output=time.out | ||
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,7 +1,3 @@ | ||
# coding: utf-8 | ||
# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department | ||
# Distributed under the terms of "New BSD License", see the LICENSE file. | ||
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import os | ||
import re | ||
from typing import List, Optional, Union | ||
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@@ -11,17 +7,6 @@ | |
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from pysqa.wrapper.abstract import SchedulerCommands | ||
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__author__ = "Jan Janssen" | ||
__copyright__ = ( | ||
"Copyright 2019, Max-Planck-Institut für Eisenforschung GmbH - " | ||
"Computational Materials Design (CM) Department" | ||
) | ||
__version__ = "1.0" | ||
__maintainer__ = "Jan Janssen" | ||
__email__ = "[email protected]" | ||
__status__ = "development" | ||
__date__ = "Feb 9, 2019" | ||
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template = """\ | ||
#!/bin/bash | ||
#PBS -l ncpus={{cores}} | ||
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