[QE-users] [QE-GPU] computing force and stress - time cost

[Mohammad Moaddeli]

Dear all,

GPU enabled QE v.6.7 is compiled on a VOLTA card. I am trying to run a
vc-relax for a bulk containing 48 atoms. Although diagonalization
(davidson) is about 3x faster than CPU, it takes a lot of time (a couple of
hours) to compute force and stress. Is this something related to the code
itself?

Best,

Mohammad Moaddeli
ShirazU
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