[gmx-users] grompp segfault

Birger Dittrich birger.dittrich at gmail.com
Wed Oct 28 15:43:38 CET 2009

Dear Gromacs users,

I have compiled gromacs 4.0.5 on a suse 10.3 x86-64 box
after having compiled and installed fftw-3.2.2 and encountered
no problems.
Now I would like to check whether the installation has
worked ok.
I downloaded the gmxtest test suite, unpacked it in the gromacs directory
and tried to run it after sourcing GMXRC. However, the test suite fails.

The output I get is
(~/gromacs-4.0.5): grompp -h
                         :-)  G  R  O  M  A  C  S  (-:

Segmentation fault

Has anybody got a clue what I can try to
do to get the grompp running or how I can get more information
on the possible cause for the segfault?


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