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Thread: Is anyone else running VASP?

  1. July 24th, 2008 01:51 AM #1
    cameronpurvis
    cameronpurvis is offline Junior Member
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    Default Is anyone else running VASP?

    I'm working on getting the latest VASP set up on our OCS 4 cluster. I've got a good build for serial jobs, but am running into miscellaneous troubles getting it working with mvapich (Topspin Infiniband) and Intel compilers. Is anyone else running it in this configuration? I'll share my makefiles when I get this going; I've written off mvapich/Intel for the moment, and will be falling back to GNU and mpich, so just in case those are useful for anyone else... please let me know if you want to discuss VASP.
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  2. July 28th, 2008 04:41 PM #2
    mehdi
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    Hi Cameron,

    What do you mean by "miscellaneous troubles" ?
    Did you try a recent version of mvapich, or Open MPI ?

    Mehdi
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  3. August 5th, 2008 12:58 PM #3
    mehdi
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    Hello Cameron,

    I had an email chat with the VASP team. Could you please send your request to their support team ? The email address is available on the main page (VASP Group, Theoretical Physics Department, Vienna)

    Mehdi
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