Mofrad, Amir Mehdi (MU-Student) amzf5 at mail.missouri.edu
Fri Nov 6 22:18:04 CET 2015

Dear all QE users and developers,

I have done an scf calculation on 1 processor which took me 11h37m. When I ran it on 4 processors it took 5h29m. I'm running the same calculation on 8 processors and it has been taking 5h17m already. Isn't it supposed to take less than 5 hours when I'm running it on 8 processors instead of 4 processors?

I used the following command for parallelization: " mpirun -np 8 pw.x -inp Siliceous-SOD.in Siliceous_SOD8out  &> Siliceous_SOD8.screen </dev/null & "

I used to use "mpirun -np 4 pw.x <inputfile> output" to parallelize before, however, it took forever (as if it were being idle).

At this stage I really need to do my calculations in parallel and I don't know what the problem is. One thing that I'm sure is that OPENMP and MPI are completely and properly installed on my system.

Any help would be thoroughly appreciated.

Amir M. Mofrad

University of Missouri
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