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Check lapack parallelization #63

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jacharrym opened this issue Feb 12, 2024 · 0 comments
Open

Check lapack parallelization #63

jacharrym opened this issue Feb 12, 2024 · 0 comments
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LAPACK might not be fully safe-thread. High energy unoccupied MO coefficents seems to give different numbers for different numbers of OMP threads. Check needed.
Check effect and performance of MKL_NUM_THREADS env option
@jacharrym jacharrym added bug Something isn't working enhancement New feature or request labels Feb 12, 2024
@jacharrym jacharrym self-assigned this Sep 1, 2024
@jacharrym jacharrym mentioned this issue Sep 23, 2024
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