[gmx-users] size limit in gromacs?

[Milan Melichercik]

On Mon, Jan 19, 2004 at 05:10:16PM +0000, Oliver Beckstein wrote:
> Look in the mailinglist archive for 'File too big' for a detailed 
> exploration. In short: access your file through nfs.

thanks for help - but now I have another problem: ngmx opens the trajectory
file, but it fails, cause of segfault
here is the part of program output:
...
Reading file trajectory.tpr, VERSION 3.1.4 (double precision)
trn version: GMX_trn_file
Reading frame       0 time    0.000   Opening library file
/opt/gromacs_d/share/top//aminoacids.dat
Opening library file /opt/gromacs_d/share/top//export.dlg
Opening library file /opt/gromacs_d/share/top//bonds.dlg
Segmentation fault

I think, the computer has enougn memory (1 GB of physical RAM, ~6 GB of swap
space), linux kernel has been compiled with option "high memory support" == 4 GB

gromacs has opened the file whth O_LARGEFILE flag

so I don't know, where the problem is :(
> 
> I have no idea if 3.2.0 includes O_LARGEFILE in the file open code. (see 
> http://www.gromacs.org/pipermail/gmx-users/2003-May/032229.html and 
> previous messages)

it includes O_LARGEFILE (even 3.1.4 includes this flag)

Milan

> 
> Oliver
> 
> On Mon, 19 Jan 2004, Milan Melichercik wrote:
> 
> > It is possible, Gromacs 3.1.4 has a file size limit (~ 2 to 2.5 GB)? Cause I
> > have 2441589428 B gromacs trajectory and if I want to show it by ngmx, the
> > program fails with message, it can't find the file. I've tried trjconv to
> > reduce amount of data, but it failed by same way.
> > Computer configuration: GNU/Linux (Debian/testing) kernel version 2.4.23
> > 			1 GB RAM, AMD Athlon processor
> > 			2 GB of swap space, but I think, it has no efect,
> > cause by "openning" this file it doesn't work with disk by same way as it's
> > swapping pages between swap space and memory
> > Also I think it isn't a Linux bug, cause I can do many thinks with this file
> > (e.g. cp, less, cat, mv, ...)
> > thanks a lot
> > 
> > Milan Melichercik
> > _______________________________________________
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> > 
> 
> -- 
> Oliver Beckstein * oliver at biop.ox.ac.uk
>  http://sansom.biop.ox.ac.uk/oliver/
> 
> 
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