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pause method may not work in some MPI systems #26

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alchem0x2A opened this issue Sep 1, 2022 · 1 comment
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pause method may not work in some MPI systems #26

alchem0x2A opened this issue Sep 1, 2022 · 1 comment
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See ulissigroup/finetuna#46. _find_mpi_process method needs its own unittest for possible mpi combinations.
@alchem0x2A alchem0x2A added the bug Something isn't working label Sep 1, 2022
@alchem0x2A alchem0x2A self-assigned this Sep 1, 2022
@alchem0x2A alchem0x2A mentioned this issue Sep 14, 2022
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alchem0x2A commented Sep 15, 2022 •
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todos

  • Refine _find_mpi_process to output None if no matching mpi process found
  • Add handler for slurm srun
  • If none of the above steps work, make sure pause / resume code does not break the vasp process
  • Check code compatibility w/ finetuna
  • Performance opt. Currently querying squeue can take up to 10 s. Don't send squeue request unless the vasp process id changes?

@alchem0x2A alchem0x2A mentioned this issue Sep 15, 2022
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