XAvier Periole wrote:
Dears,
I am having troubles finding the better balance between the PME CPUs and
the rest.
I played with the rdd, rcon and -npme options but nothing really appears
very
straightforwardly best.
I'd appreciate if some of you could post their experience in that
matter. I mean the
number of pme nodes as compared the total number of CPUs used.
I think this info as been discussed recently on the list but the archive
is not accessible.
It may matter that I have a system containing about 70000 atoms, a
protein in a bilayer.
g_tunepme in the CVS is your friend here. Carsten Kutzner is the author
of this program.
Best,
XAvier.
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David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
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
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