[gmx-users] Segmentation fault with gromacs executables

Sikandar Mashayak symashayak at gmail.com
Mon Apr 26 06:45:59 CEST 2010


I am facing this strange problem of segmentation fault while executing
mpi-enabled gromacs executables on remote server.

I source GMXRC, so that I can access executables from any directory without
specifying full path of gromacs/bin. And when I execute, say grompp, I get
segmentation fault.
But when I use the same command by specifying full path
/home/.../gromacs/bin/grompp , it executes without any issues!!

Whats wrong going on here?

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