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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