Comments (4)
@Satinelamp Thanks for your tests! This function actually has MPI function, which are included in the Grid_Technique. We are working to optimize its performance. Please expect newer versions of ABACUS. If no further problems on this function, I will close this issue.
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@Satinelamp
In our latest version v3.4.0, class Local_Orbital_Charge
has been replaced by a new class DensityMatrix
in the main procedure more or less, and the MPI transfer function cal_dk_k
is replaced by a new function transfer_DM2DtoGrid()
. The problem has been solved in this refactor.
If you are interested in the new implement, you can also check the performance of transfer_DM2DtoGrid()
.
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@Satinelamp Could you please test if this issue still exists? If it has been solved, we will close this issue. Thanks!
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