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Parallelization fails for jobs running simultaneously from same folder #97

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timcallow opened this issue Nov 13, 2021 · 0 comments · Fixed by #99
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Parallelization fails for jobs running simultaneously from same folder #97

timcallow opened this issue Nov 13, 2021 · 0 comments · Fixed by #99
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atoMEC uses the joblib library for a simple parallelization over spin and l quantum numbers when diagonalizing the Hamiltonian. It is recommended in joblib to dump large arrays to a file which is then deleted after.

Currently in atoMEC this writing to file does not work when multiple simulations are performed simultaneously from the same directory (i.e. quite likely on on HPC), because the data file for a given run is overwritten by the data file for another run.

Simple fix will be just to randomize the name of the data file.
@timcallow timcallow added the bug Something isn't working label Nov 13, 2021
@timcallow timcallow self-assigned this Nov 13, 2021
@timcallow timcallow changed the title Parallelization bug Parallelization fails for jobs running simultaneously from same folder Nov 13, 2021
@timcallow timcallow mentioned this issue Nov 14, 2021
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@timcallow timcallow linked a pull request Nov 14, 2021 that will close this issue
Fix issue #97 (overwriting data storage folders with joblib) #99
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timcallow added a commit that referenced this issue Nov 15, 2021
@timcallow
Merge pull request #99 from timcallow/fix_joblib_datastorage
3d2856e 
Fix issue #97 (overwriting data storage folders with `joblib`)
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Fix issue #97 (overwriting data storage folders with joblib) timcallow/atoMEC
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