[gmx-users] segfault on Gromacs 4.6.3 (cuda)

Guanglei Cui amber.mail.archive at gmail.com
Mon Sep 9 21:52:30 CEST 2013

Dear GMX users,

I recently compiled Gromacs 4.6.3 with CUDA (Intel compiler 11.x, SSE2, and
CUDA SDK 5.0.35). I was doing a test run with simply 'mdrun -deffnm
eq2_npt_verlet' (letting mdrun figure out what to use). I received the
error telling me my graphics driver was older than the CUDA SDK, and
regular CPU code would be used instead. Then, it crashed with Segmentation
Fault. The code runs properly on another node where the graphics driver is
more up to date. I wonder if the crashing is somewhat expected, and
therefore I should prepare different binaries based on  the capabilities of
different nodes. Thanks.

Best regards,
Guanglei Cui

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