[Pw_forum] Running in Parallel

[Mofrad, Amir Mehdi (MU-Student)]

I used to run the older version of QE in parallel on a cluster using SLURM with the following command in job script and it worked fine.

              mpirun pw.x -inp $INPUTFILE


However, after I compiled it to the newer version 6, apparently the simulation gets frozen (it dumps some information on the output file though). It recognizes the parallel version also (writes down the number of processors at the beginning of the output file). So I can't diagnose what the problem is. Any help would be thoroughly appreciated.

________________________________
From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of Filippo SPIGA <filippo.spiga at quantum-espresso.org>
Sent: Wednesday, November 23, 2016 4:57:06 AM
To: PWSCF Forum
Subject: Re: [Pw_forum] Running in Parallel

On Nov 22, 2016, at 11:48 PM, Mofrad, Amir Mehdi (MU-Student) <amzf5 at mail.missouri.edu> wrote:
> After I compiled version 6 I can't run it in parallel.

A bit more information about how you compiled and how your run will be useful to understand your problem

--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org


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