[Pw_forum] Fwd: Band calculation gets terminated

Aditya Putatunda adityaputatunda at gmail.com
Tue Aug 26 18:28:42 CEST 2014

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.


---------- 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.

NISER, Bhubaneswar,
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