[gmx-users] Gromacs installation
spoel at xray.bmc.uu.se
Mon Nov 10 20:31:02 CET 2003
On Mon, 2003-11-10 at 18:09, Maira d'Alessandro wrote:
> we installed Gromacs on a cluster with myrinet but it doesn't work with PME, and
> it work well with cut-off.
> is there somebody who found this problem or have some idea?
can you give more details on the implementation? Did you (re)compile
FFTW after installation of the MPI library?
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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