[gmx-users] Running Gromacs on IBM Power4

Marc Baaden baaden at smplinux.de
Fri May 7 11:51:00 CEST 2004


  I just compiled gmx 3.2.1 on a Power4 cluster. Our supercomputer
institute only provides double precision fftw libraries for this
architecture. Now I wonder what the implications of using Gromacs
in double precision on this architecture are in practice, and
whether I should bother trying to recompile a single precision fftw
and re-recompile gmx with that.

  For now, I don't think it is sensible to compile a single precision
Gromacs version on this architecture, but I'd like some confirmation
from the experts ..

My guesses:
- performance should be unaffected as it is a true double precision 
- filesizes will be similar except for trr files (??)


 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.marc-baaden.de
 FAX: +49 697912 39550  -  Tel: +33 15841 5176 ou +33 609 843217

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