[gmx-users] Gromacs installation
David
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:
> Hi!
> 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?
> thanks
can you give more details on the implementation? Did you (re)compile
FFTW after installation of the MPI library?
--
David.
________________________________________________________________________
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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