DensityMatrix::cal_DMR()
with nspin=4
is significantly slower than nspin=1
#5250
Labels
Performance
Issues related to fail running ABACUS
Details
job_nspin1.log
job_nspin4.log
In this crystal, the average time of
DensityMatrix::cal_DMR()
withnspin=1
is 0.02s, while withnspin=4
is 829.62s.Task list for Issue attackers (only for developers)
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