[gmx-users] curious 'File not found' error

David spoel at xray.bmc.uu.se
Mon Jan 20 18:37:56 CET 2003

On Mon, 2003-01-20 at 20:26, Luciane Vieira de Mello wrote:
> Hi
> A while back I posted a message about a 2GB file size limit in Linux that
> was causing problems with big trajectories.  Upgrading to 2.4.18 kernel
> removed the general problem but another, less serious one, remains.
> Visualization with ngmx just shows me around 2GB worth of trajectory - it
> seems like there is a separate limitation in that program.  Has anyone
> else seen this?  This does *not* apply to other gromacs programs that I
> have tried.  For example tpbconv reads the entire trajectory with no
> problems.
> Part of the advice I got last time was to use .xtc instead of .trr.  This
> would be nice to save space, but I always understood that I needed trr
> rather than xtc to restart crashed trajectories.  Is this true?
> Unfortunately the restarting is generally necessary.
Yes, but you can save to trr, say, every 50 ps, while saving to xtc
every ps (or as often as you like). This also solves the problem.

Please report other programs that "misbehave" with the 2Gb limit too.
Groeten, David.
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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