| 1:07:22 PM PDT - Thu, Apr 18th 2013 |
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Edo
You are right. When I compiled using mpi, nproc=8 was correctly shown in output, but the wall time was too high.
So, I preferred to use the openmp. In my run, the threading was not activated because the wall time remains the same as in the case when using the command "nwchem h3tr1.nw". So, I am not sure if I have built in a correct manner.
Could you please comment the way I compiled for openmp.
Thanks, Mahmoud
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