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

[David van der Spoel]

On Tue, 2005-01-11 at 13:12 -0200, hverli at cbiot.ufrgs.br wrote:
> Hi, David,
> 
> due to the size of the file I was not able to see it.
then make it smaller with simple unix tools, like head.
> 
> Hugo.
> 
> > 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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> 
> 
> 
> 
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-- 
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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