how to run paraell calculation with vasp in IBM p690?

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

Moderators: Moderator, Global Moderator

Post Reply
Message
Author
mqcai

how to run paraell calculation with vasp in IBM p690?

#1 Post by mqcai » Thu Apr 06, 2006 1:39 pm

Dear :
I am a new vasp user. I have installed the vasp code in the IBM p690 successfully with the parallel edition.

Now I want to run the example H2O. how to run paraell calculation with vasp in IBM p690?

ERROR: 0031-808 Hostfile or pool must be used to request nodes.

Thank you in advance
Last edited by mqcai on Thu Apr 06, 2006 1:39 pm, edited 1 time in total.

kanderson
Newbie
Newbie
Posts: 1
Joined: Wed Jun 29, 2005 2:27 pm

how to run paraell calculation with vasp in IBM p690?

#2 Post by kanderson » Mon Apr 10, 2006 5:09 pm

To run jobs interactively you will probably need to use the parallel operating environment (poe) and then specify how many processors and/or nodes you wish to use. For example, to run on 2 processors you could use something like:
poe ./vasp -rmpool 1 -procs 2

The man pages for poe give more detail. Also, you probably will want to check that this is the correct way to run parallel jobs interactively for your system.
Last edited by kanderson on Mon Apr 10, 2006 5:09 pm, edited 1 time in total.

Post Reply