[gmx-users] parallel run error

David van der Spoel spoel at xray.bmc.uu.se
Wed Nov 24 09:29:20 CET 2004

On Tue, 2004-11-23 at 16:19 -0500, Lianqing Zheng wrote:
> Thanks, David! It finally works after I copies all relevant library files
> to each node. An interesting thing I found, though, is it takes 18 seconds
> to run with one  node, but 46 seconds with four nodes (I used the water in
> tutorial). I also found the CPU usage for one node is about 99%, but
> only ~20% on each node if four nodes are used. Any hints?
Run a larger system and wait for version 4.0.

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
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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