Phonons with vasp
Posted: Fri Mar 29, 2013 5:29 pm
Hi,
I am trying to run phonon calculations with 32 nodes and 4 ppn (128 prcs). If I use the NPAR tag it complains and terminates saying remove the NPAR tag. Because, the Kpoints was not suitable and it needs to be readjusted. If I do that then it stops after iteration 1. This is kind of large system so I need to use as many procs as possible. I am using vasp 5.3 and IRION =8. I am using 2x2x2 supercell.
Any help would be greatly acknowledged.
Thanks
Siakat Mukhopadhyay
I am trying to run phonon calculations with 32 nodes and 4 ppn (128 prcs). If I use the NPAR tag it complains and terminates saying remove the NPAR tag. Because, the Kpoints was not suitable and it needs to be readjusted. If I do that then it stops after iteration 1. This is kind of large system so I need to use as many procs as possible. I am using vasp 5.3 and IRION =8. I am using 2x2x2 supercell.
Any help would be greatly acknowledged.
Thanks
Siakat Mukhopadhyay