parallel vasp running on slow speed
Posted: Mon Jul 28, 2008 9:06 am
Dear Vasp-users,
We have properly installed the parallel version of Vasp and it was running successfully for the past few months. We had then achieved a fast convergence for our systems containing 198 ions (1038 electrons) and for Ecut=500 eV. However suddenly VASP has slowed down. It shows running status in the queque system but even on 12 processors the OUTCAR file got update only upto 1 ionic iteration after 24 hours.
Is it possible that heavy I/O is going on the cluster machine and thats why this particular program is affected?
We have already cleaned up the share memory. But even after that the program is running slowly. Kindly let us know the probable reasons behind the reduced speed and also suggest possible solutions of overcoming this problem.
Thanking you.
Bhakti
We have properly installed the parallel version of Vasp and it was running successfully for the past few months. We had then achieved a fast convergence for our systems containing 198 ions (1038 electrons) and for Ecut=500 eV. However suddenly VASP has slowed down. It shows running status in the queque system but even on 12 processors the OUTCAR file got update only upto 1 ionic iteration after 24 hours.
Is it possible that heavy I/O is going on the cluster machine and thats why this particular program is affected?
We have already cleaned up the share memory. But even after that the program is running slowly. Kindly let us know the probable reasons behind the reduced speed and also suggest possible solutions of overcoming this problem.
Thanking you.
Bhakti