[Pw_forum] error from pw_readfile- error opening xml data file

Mitesh S mitesh.sphd13 at sot.pdpu.ac.in
Mon Mar 9 05:45:18 CET 2015


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*Thanks & Regard Mitesh B. SolankiResearch Scholar(Physics)School Of
TechnologyPandit Deendayal Petroleum  University,Raisan Gandhinagar-382
007. GujaratPhone:- Mo-8000117505Email:-mitesh.sphd13 at sot.pdpu.ac.in
<Email%3A-mitesh.sphd13 at sot.pdpu.ac.in>http://www.pdpu.ac.in
<http://WWW.pdpu.ac.in>*

On Fri, Mar 6, 2015 at 12:09 AM, Mary Ebrahimi <maryebrahimi at gmail.com>
wrote:

> Hello,
> I am a new user of QE. I have managed to do some of the Exercises provided
> by the software. The software is installed on a cluster.
>
> For simulating a single crystal surface of copper, I am facing the "error
> from pw_readfile ... error opening xml data file" seen in a "CRASH" file.
>
> Also the following error in the run_pwscf.log file:
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
> --------------------------------------------------------------------------
>
>  All your advice is highly appreciated.
>
> Best Regards,
> Mary
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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