[Pw_forum] Computational Speed for pw.x

Amar Singh amarsingh122014 at rediffmail.com
Mon Dec 11 12:22:47 CET 2017


Dear Lorenzo Paulatto & Sitangshu Bhattacharya,​Thanks for your suggestions.​I did try to check the computing performance with respect to no of processors for a ten atom unit. I found that computation time is minimum for 8 processors (k 4 4 4) and increases on moving on either side. Similarly, varying -nk and -ni from 1 - 8 for -np 8 also does not effect the performance much. Looking forwarward for your further help. Am I missing something here ? Following is the typical command I use.mpirun -np 8 ./pw.x -ni 8 <my.inp>my.out
thanksAmar
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