CP2K on Power5/AIX5.3

Toon Verstraelen Toon.Ver... at UGent.be
Wed Dec 19 10:23:38 CET 2007


Hi All,

We are trying to compile cp2k on our AIX Power5 cluster. Our current compilation (a few 
days old) has a memory leak and we suspect that the problem is caused by the 
lapack/blas/blacs/scalapack dependencies. We have compiled these libraries manually, 
because apparently the essl (4.2) and pessl (3.2) libraries implement only a subset of the 
standard lapack/blas/blacs/scalapack routines.

Before we discuss all our makefiles over the mailing lists, I would like to ask if someone 
has reliable instructions on how to compile the dependencies of cp2k for this target?

cheers,

Toon



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