undefined problem during parallel runs

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
edurgun
Newbie
Newbie
Posts: 10
Joined: Thu Sep 29, 2005 11:52 am
License Nr.: 5-725

undefined problem during parallel runs

#1 Post by edurgun » Fri Feb 16, 2007 10:07 am

We succesfully compiled vasp 4.6 without error. but when we try to calculate anything, most of the time it stops without giving any error message. When I check the status, the program seems running but it is not. The admin of the system tried several things but he cannot understand the problem. For the same job vasp iterates for a few electronic steps (sometimes a few ionic steps also for another system) and stops always at the same step. I hope i manage to define the problem. We hope anyone has any idea. thanks in advance

not: the sytem has xeon processors and we are using scientific linux 3...
Last edited by edurgun on Fri Feb 16, 2007 10:07 am, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

undefined problem during parallel runs

#2 Post by admin » Wed Feb 21, 2007 11:02 am

if the error is VASP related, there has to be a hint in the job.out file.
please check it carefully. also, please ceck if the problem occurs for both, serial and parallel runs.
Last edited by admin on Wed Feb 21, 2007 11:02 am, edited 1 time in total.

Post Reply