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...
undefined problem during parallel runs
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undefined problem during parallel runs
Last edited by edurgun on Fri Feb 16, 2007 10:07 am, edited 1 time in total.
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undefined problem during parallel runs
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.
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.