[gmx-users] crash due to huge files using reaction field

[David van der Spoel]

On Tue, 2005-01-11 at 11:30 -0200, hverli at cbiot.ufrgs.br wrote:
> Hi,
> 
> 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.
________________________________________________________________________
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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