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Parallel properties of vasp

Posted: Thu Nov 17, 2011 1:59 pm
by TopolM
Hello!
I'm going to work on a cluster with vasp 4.6
A cluster administrator asked me to inform the following properties of vasp:
1) number of parallel processes
2) possible number of parallel threads of one process
3) hard disk use per a process (the amount of input and output data)

Can anyone help?
Thanks!

Parallel properties of vasp

Posted: Fri Nov 18, 2011 12:12 pm
by alex
Hi.

1) as you wish. typically between 8 and 128 processes depending on system sizes.
2) I think this question tends to cover SMP machines. So the answer is 1. (no parallelism of any lib via SMP, all via MPI).
3) up to 10 MBytes without writing huge files (or 1GB with those)

Cheers,

Alex

Parallel properties of vasp

Posted: Fri Nov 18, 2011 1:59 pm
by TopolM
Thank you very much!

Best regards
Victor