Due to the error code or machine?  [SOLVED]

Total energy, geometry optimization, DFT+U, spin....

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Nassim
Posts: 5
Joined: Thu Sep 19, 2013 11:55 am

Due to the error code or machine?  [SOLVED]

Post by Nassim » Fri Mar 20, 2015 11:06 am

Dear Abinit's users
I run an Abinit calculation on a monoclinic structure with 12 atoms, low cutoff energy (10 hartree), low number of k points and one SCF iteration, the code runs, but when I increase these parameters, the code stops at the first iteration leaving the message error:

Code: Select all

=====================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   EXIT CODE: 11
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=====================================================================================
APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)


Thanks for all.

Cu3Alnstep2.log
log file with nstep =2 (>1)
(89.31 KiB) Downloaded 313 times

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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: Due to the error code or machine?

Post by jzwanzig » Mon May 11, 2015 6:54 pm

possibly an out-of-memory condition.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com

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