[Pw_forum] Computational Speed for pw.x

[Amar Singh]

Dear Friends,​I am trying to vc-relax a 40 atom supercell using a 40 processor/256GB RAM (Dell 7910) computer equipped with open-mpi. Following is the command I used to run the QE​mpirun pw.x -np 40 < XXX.in > XXX.out​​I noticed that the processing speed is slightly better than single processor, but nowhere close to expected 30 - 40 times. Also the dynamic RAM allocated per process is ~ 950 MB (total ~ 39 GB), the rest > 210 GB remains unused. ​Will be thankful if someone can point out if I am doing anything wrong or for any suggestion to improve the performance of the system.thanks​Amar, DMJR Univ. Chennai
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