how to run paraell calculation with vasp in IBM p690?

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mqcai · #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

kanderson · #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.