Dear Jiqiang, Thank you for your reply. The problem is that I have never done parallelization in quantum espresso before so I don't have an output file to look at either. I have read the documentations and they were ambiguous and vague and were not really helpful. I would appreciate it if you give me some instructions on how you do parallelization yourself, i.e the input file, output file, commands, and etc.
Best, Amir M. Mofrad University of Missouri ________________________________________ From: [email protected] <[email protected]> on behalf of jqli14 <[email protected]> Sent: Thursday, November 5, 2015 6:34 PM To: PWSCF Forum Subject: Re: [Pw_forum] Parallelization 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
