[Pw_forum] Fwd: Band calculation gets terminated

Vincenzo Verdolino vincenzo.verdolino at gmail.com
Tue Aug 26 18:44:37 CEST 2014


Could you paste your input file please??

Sent from my iPhone

> On 26/ago/2014, at 18:28, Aditya Putatunda <adityaputatunda at gmail.com> wrote:
> 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
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> Pw_forum at pwscf.org
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