[gmx-users] trajectory tools don't work with large .xtc / .trr files

[Wojciech Kopeć]

Dear all,

I've been using GROMACS successfully for quite some time on several
platforms, although after a recent upgrade my main linux workstation to
Ubuntu 14.04 and new installation of latest GROMACS (5.0.4) I noticed very
strange behaviour of several tools (mainly trjconv and gmxcheck). Basically
when I try to use them on my trajectories, in simplest case

trjconv -f traj.xtc

I get the error:
Source code file
/home/wojciech2/GROMACS-5.0.4/gromacs-5.0.4/src/gromacs/fileio/gmxfio.c,
line: 513

Can not open file:
traj.xtc

Needless to say the file exists in the given directory. It happens to all
files that I've accumulated over the years (with different GROMACS
versions); files themselves are not damaged as they work perfectly on my
mac with the same GROMACS version, installed in the same way. Also when I
reduced the size (simply using -skip) command of the trajectories on my mac
and transferred them to my workstation, the very same tools work without
any problems. However, as soon as the file size is above ~2 GB, it throws
me the above mentioned error. Any clues?

Thanks,
Wojciech