David van der Spoel wrote:
Dear Sir,
Thanx for the reply
Sorry for to trouble u once more ....
I have been using grompp & mpirn with -np [x] for my cluster. But there
is no scale up in compute power happening
please give more details. what kind of system, how did you start the
simulations etc...
maybe you should start by doing the gromacs benchmark.
Our cluster has been checked & bechmarked with XHPL, and gives ~30 GFLOPS
this is not relevant for gromacs.
I have been browsing thru the mailing list, but none gives a complete
answer
Thats why I have mailed direct to support team
I'm sorry to say this but there is no support team... we're just a bunch
of scientists...
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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