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Gromacs-3.1 Precision: Singlehot!

14.09.2005

CPU version:     Linux version: Win XP
Libraries: Static     Size: 11830
FFTW version:     MPI support: no
Installation prefix: /usr/local/gromacs

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FFTW-3.01 Precision: Single and Doublehot!

14.09.2005

CPU version:     Linux version:
Libraries: Static     Size: 1946361
MPI support: yes   MPI version: mpich 1.2

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fftw-3-3.1.2-i686-double-sse2.tgzhot!

07.10.2006

Slack Package built under the 11.0 Slack Release wich was running on a amd 64 processor using the 32bits distro version, wich is why I choosed to enable SSE2.

I used standard directories and for this package, I compiled with double precision and with threads enabled.

Any doubts or request, please contact me at edumlopes@yahoo.com.br

Homepage: http://www.ufscar.br

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Gromacs-3.2 Precision: Single and Doublehot!

14.09.2005

CPU version: AMD K7     Linux version: Red Hat 7.2 kernel 2.4.20
Libraries: Static     Size: 3756008
FFTW version: no parallel FFTW support     MPI support: no
Installation prefix: /usr/local/gromacs
Comments:
This version of Gromacs 3.2 supports PVM 3.4.4 for parallel computation. It has been tested on a RedHat 7.2 Linux cluster and it computes with a 2.7% total time gain on the MPI version
Contributed by: Marco Maniezzo (marco.maniezzo@polito.it)

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