[Pw_forum] Parallelization

[jqli14]

Dear Amir,

    You should check the processor information in the output firstly and verify whether nproc is 2, 4 or 8. If it is all right, then make sure that your paralellization environment is okay. Did you run any other paralellized code on your machine sucessfully before?

Jiqiang Li





>Dear QE users,
>
>
>
>
>
>Can anyone tell me how to do scf calculations in parallel? I have done an scf calculation on one processor and now I want to do it on 2, 4, and 8 processors. One on processor it took 14 minutes to finish, however, when I run it on 2, 4, 8 it takes forever (it really never finishes). I use the following command " mpirun -np 4 pw.x -inp  INPUT_FILE |tee  OUTPUT_FILE ".
>
>
>
>
>
>Any help would be thoroughly appreciated.
>
>
>
>
>
>
>
>
>Best,
>
>
>
>
>
>Amir M. Mofrad   
>
>
>University of Missouri