[gmx-users] waterbug fixed + infinite systems support improved
spoel at xray.bmc.uu.se
Sun Sep 7 17:23:01 CEST 2003
On Sun, 2003-09-07 at 17:12, Kay Gottschalk wrote:
> Could you please specify a bit what the water-bug is? I just started
> some water calculations...
this involved simulations of something solvated in water, on more than
processor, where the first processor did not have any water molecules
left. A simple case would be a protein with just a patch of water on it.
You would notice it as a segmentation violation.
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
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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