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: [email protected] <[email protected]> on behalf of
Filippo SPIGA <[email protected]>
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)
<[email protected]> 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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