VASP Parallelization Scaling
Posted: Tue Apr 17, 2012 12:09 am
Hello All,
We are trying to build a computer cluster (128 cores) and using VASP 5.2. I would like to get feedback from those who have experienced VASP performance and I appreciate their recommendations for optimizing our system.
We are mainly interested in phonon and electronic band structure calculations. The system sizes will be around 100 atoms.
- Any recommendation in terms of processors types ( Xeon
vs AMD Petron)
- Any recommendation for the network connections (
infinband vs myrinet)
- How does VASP performance scale when using (SDR,QDR,
DDR, 4x,8x,12x) infiniband?
Thank you
IYAD
We are trying to build a computer cluster (128 cores) and using VASP 5.2. I would like to get feedback from those who have experienced VASP performance and I appreciate their recommendations for optimizing our system.
We are mainly interested in phonon and electronic band structure calculations. The system sizes will be around 100 atoms.
- Any recommendation in terms of processors types ( Xeon
vs AMD Petron)
- Any recommendation for the network connections (
infinband vs myrinet)
- How does VASP performance scale when using (SDR,QDR,
DDR, 4x,8x,12x) infiniband?
Thank you
IYAD