Compiling NWCHEM in an IBM PPC64 running linux.

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8:13:47 AM PDT - Mon, Sep 10th 2012
Does anyone has any experience compiling nwchem 6.1.1 on an IBM SP6 running Linux (not aix) with xlf compilers? (user mode) Could you please post the environment settings? The main difficulties I'm having are: How to use essl properly? Parallel environment: I've found the ppp.poe mpi libraries, but I don't have an idea how to link them properly, and I don't know the particular flavour of hardware to use. If by chance anyone is a user, the target machine is the Huygens national supercomputer of Netherlands. Best,

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Dr. O. Baris Malcioglu,
University of Liege,
Bât. B5 Physique de la matière condensée
allée du 6 Août 17
4000 Liège 1
Belgique