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OpenMP problem in acsf generation with gradients #90

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SilviaAmAm opened this issue Sep 28, 2018 · 0 comments
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OpenMP problem in acsf generation with gradients #90

SilviaAmAm opened this issue Sep 28, 2018 · 0 comments
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@SilviaAmAm
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The subroutine fgenerate_acsf_and_gradients causes problems when the size of the representation is over a certain size (nTs=15, nRs2=15, nRs3=15 makes it not work). The bug doesn't seem to be reproducible on every computer.
@SilviaAmAm SilviaAmAm added the bug label Sep 28, 2018
SilviaAmAm added a commit to SilviaAmAm/qml that referenced this issue Sep 28, 2018
@SilviaAmAm
Temporary fix for issue qmlcode#90
ae07faa
andersx pushed a commit that referenced this issue Sep 28, 2018
@andersx
Temporary fix for issue #90 (#91)
e8224b5
larsbratholm added a commit to larsbratholm/qml that referenced this issue Oct 4, 2018
@larsbratholm
Made omp less memory intensive in acsf, including a fix to qmlcode#90
88686fb
larsbratholm added a commit to larsbratholm/qml that referenced this issue Oct 4, 2018
@larsbratholm
Merge remote-tracking branch 'qmlcode/develop' into qmlcode#90
52d4240
@larsbratholm larsbratholm mentioned this issue Oct 4, 2018
Merged
andersx pushed a commit that referenced this issue Nov 13, 2018
@larsbratholm @andersx
Made omp less memory intensive in acsf, including a fix to #90 (#96)
e79f487
zaspel pushed a commit to zaspel/qml that referenced this issue Jul 29, 2019
@andersx
Temporary fix for issue qmlcode#90 (qmlcode#91)
6a489df
zaspel pushed a commit to zaspel/qml that referenced this issue Jul 29, 2019
@larsbratholm @andersx
Made omp less memory intensive in acsf, including a fix to qmlcode#90 (…
d9f7cc8 
…qmlcode#96)
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@larsbratholm @SilviaAmAm