[gmx-users] crash due to huge files using reaction field
David van der Spoel
spoel at xray.bmc.uu.se
Tue Jan 11 16:10:59 CET 2005
On Tue, 2005-01-11 at 11:30 -0200, hverli at cbiot.ufrgs.br wrote:
> I have been experiencing some strange problems with reaction field. In two
> different protein systems with about ~120 aminoacids each one (including water
> and ions), at some point of the simulations (~4.0ns) gromacs generated a huge
> .log file (>60GB!), completely filling the hard disk and so stopping the
> simulation. We tried to simulate those systems in other machines, considering a
> hardware problem, but the error still occurs (approximately in the same time
> step). We are using the Mandrake linux, and so considering a possible problem
> with the operational system we simulated in both Makdrake 9.2 and 10.0, and
> again the error was observed. It appears to be quite reproducible.
What's in the log file?
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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