[Pw_forum] Fwd: Band calculation gets terminated

[Aditya Putatunda]

Hi all,
         Thanks a lot for your replies. I am attaching the input files as
you asked.  I can send the output files too in case you need them.


Thanks,
Aditya


On Wed, Aug 27, 2014 at 2:04 AM, Vo, Trinh (398C) <Trinh.Vo at jpl.nasa.gov>
wrote:

>  Hi Aditya,
>
>  I have similar problem before with a  nscf run.  I finally found out
> that it  was due to bus problem,  since my job was very big.  I reduced the
> number of CPUs per node (and of course increased number of nodes), then it
> worked.  You may try it again with this way to see if it solves your
> problem.
>
>  Trinh
>
>   From: Aditya Putatunda <adityaputatunda at gmail.com>
> Reply-To: PWSCF Forum <pw_forum at pwscf.org>
> Date: Tuesday, August 26, 2014 9:28 AM
> To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
> Subject: [Pw_forum] Fwd: Band calculation gets terminated
>
>   Hello all,
> Sorry to state, but I got no reply. I am still getting the same error
> while doing nscf for the DOS calculations. Please help me figure out the
> problem why the application terminates without putting the JOB DONE quote.
> Moreover I cannot use the results further for plotting the DOS.
>
>  Thanks,
> Aditya
>
> ---------- Forwarded message ----------
> From: Aditya Putatunda <adityaputatunda at gmail.com>
> Date: Thu, Aug 21, 2014 at 8:46 AM
> Subject: Band calculation gets terminated
> To: pw_forum at pwscf.org
>
>
> Hi all,
> I was doing a bands calculation for a non-metallic system of about 60
> atoms. But each time the pw.x process terminates with the last line "
> Writing output data file *filename*.save      " in the bands.out file. Now
> further when I try to collect the bands calculated by pw.x using bands.x,
> the process terminated abruptly with no CRASH file. Also the temp files are
> quite large ( >750Mb).
>
>  I am using parallel version 5.0.1 on 48 processors and have no
> disk/memory issues in my workstation. Has someone come across this problem
> or is it some system/machine specific error. Please enlighten me.
>
>  -Aditya
> NISER, Bhubaneswar,
> India
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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