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Update OpenMP parallelization in WSC to avoid data-races #1191

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merged 12 commits into from
Feb 13, 2025

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@foxtran foxtran commented Feb 11, 2025

This PR removed data-races from shared minpos/mindist/nminloc/nmindist. Now, wsc and peeq tests should be repeatable.

@foxtran foxtran changed the title Remove OpenMP parallelization in WSC to avoid data-races Update OpenMP parallelization in WSC to avoid data-races Feb 11, 2025
@foxtran foxtran force-pushed the fix/datarace-wsc branch 3 times, most recently from 70cf3a7 to c1ef291 Compare February 12, 2025 09:02
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foxtran commented Feb 12, 2025

Just made a small update to make allocation in parallel region for avoiding OMP stack usage.

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foxtran commented Feb 12, 2025

It fixes random failures of xtb/gfnff test also :-)

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Can you also remove the unused ich variable?

Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
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foxtran commented Feb 13, 2025

@marvinfriede, I have updated the code with your suggestions

@marvinfriede marvinfriede merged commit 8964b4f into grimme-lab:main Feb 13, 2025
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@foxtran foxtran deleted the fix/datarace-wsc branch February 13, 2025 08:35
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2 participants