[CPMD-list] Compiling cpmd v3.7 on IBM p690

[Bernd Kallies]

Dear all,
when compiling cpmd v3.7 on an IBM p690, I noticed two problems:
1. when FFT is used from IBM's ESSL (preprocessor flag -DFFT_ESSL), the
program produces wrong results (as already v3.5.3 did). -DFFT_DEFAULT
works.
2. when compiling for mixed-mode-parallel (MPI + OpenMP) and using
xlf/8, the program coredumps after allocating memory. xlf/7 works.
However, when compiling for MPI only, xlf/8 works.

I'm wondering that IBM partially holds the copyright for this software,
but IBM's own software products cannot handle it, at least on our
machine. Is there anybody who had success with -DFFT_ESSL and/or xlf/8
hybrid-parallel?

-- 
Dr. Bernd Kallies
Konrad-Zuse-Zentrum fuer Informationstechnik Berlin
Takustr. 7
14195 Berlin
Tel: +49-30-84185-270
Fax: +49-30-84185-311
e-mail: kallies at zib.de