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 <[email protected]> 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140826/8a51fa36/attachment.html
