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Implementation of SGE interface #43

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merged 37 commits into from
Nov 15, 2024
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6fd2c7c
Initial commit for SGE interface
QuantumChemist Aug 2, 2024
e4a57ef
adding extremely generic code
QuantumChemist Aug 2, 2024
f602de7
adding SGEIO and SGEState to init
QuantumChemist Aug 2, 2024
a119af5
add very generic tests based on the slurm tests (not all do pass)
QuantumChemist Aug 2, 2024
d77800e
finalized first implemetation
QuantumChemist Aug 7, 2024
a1911e3
Update src/qtoolkit/io/sge.py
QuantumChemist Aug 16, 2024
982627d
made nodes indeterminated
QuantumChemist Sep 19, 2024
d782fb0
replaced not working links
QuantumChemist Sep 19, 2024
28db648
removed queue states
QuantumChemist Sep 19, 2024
6f58cd2
removed queue states
QuantumChemist Sep 19, 2024
a8ed691
remapped some job states to QState.FAILED and QState.SUSPENDED, added…
QuantumChemist Sep 19, 2024
e153da1
changed OutputParsingError to CommandFailedError
QuantumChemist Sep 19, 2024
ae01b4f
set cpus and nodes to None in case of ValueError
QuantumChemist Sep 19, 2024
23dae18
using sge_state.qstate
QuantumChemist Sep 19, 2024
28732af
added get_job_executable to SGEIO class initialization
QuantumChemist Sep 19, 2024
58ccd31
split_separator not needed
QuantumChemist Sep 19, 2024
e6e67b3
making the message for not being able to query per job_list more clearer
QuantumChemist Sep 19, 2024
85afc3b
removing account from _qresources_mapping
QuantumChemist Sep 19, 2024
27346a5
fixing unit tests
QuantumChemist Sep 19, 2024
08b513c
fixed unit tests
QuantumChemist Sep 19, 2024
2a74639
Merge branch 'Matgenix:develop' into sge
QuantumChemist Sep 19, 2024
573641e
added test_submission_script with adjusted settings for SGE
QuantumChemist Sep 19, 2024
8d31364
seeting swt to 0.99*hwt
QuantumChemist Sep 20, 2024
9a000a5
introduced parent class PBEIOBase to unify PBSIO and SGEIO functional…
QuantumChemist Sep 20, 2024
fee9e75
changing _convert_str_to_time for PBSIOBase
QuantumChemist Sep 20, 2024
ffbc462
fixing unit tests because of soft walltime changes
QuantumChemist Sep 20, 2024
eaa9f33
implement that in SGE one can also query by a job_list and move simil…
QuantumChemist Sep 20, 2024
09e3748
adjust test_get_jobs_list_cmd for the changes
QuantumChemist Sep 20, 2024
e34a169
renamed _get_base_command to _get_qstat_base_command
QuantumChemist Sep 25, 2024
ad8077f
moved _qresources_mapping to the subclasses
QuantumChemist Sep 25, 2024
3fae987
moved _qresources_mapping to the subclasses
QuantumChemist Sep 25, 2024
a46aebd
moved _qresources_mapping to the subclasses
QuantumChemist Sep 25, 2024
74d1867
moverd system_name, default_unit and power_labels to class attributes
QuantumChemist Sep 25, 2024
e968913
remove scope=session from maximalist_qresources
QuantumChemist Sep 25, 2024
5b672ad
made instance attributes to class attributes
QuantumChemist Sep 30, 2024
c85b3ea
Merge branch 'Matgenix:develop' into sge
QuantumChemist Oct 24, 2024
383aada
Update sge.py
QuantumChemist Oct 24, 2024
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3 changes: 2 additions & 1 deletion src/qtoolkit/io/__init__.py
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@
from qtoolkit.io.base import BaseSchedulerIO
from qtoolkit.io.pbs import PBSIO, PBSState
from qtoolkit.io.sge import SGEIO, SGEState
from qtoolkit.io.shell import ShellIO, ShellState
from qtoolkit.io.slurm import SlurmIO, SlurmState

scheduler_mapping = {"slurm": SlurmIO, "pbs": PBSIO, "shell": ShellIO}
scheduler_mapping = {"slurm": SlurmIO, "pbs": PBSIO, "sge": SGEIO, "shell": ShellIO}
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