[gmx-users] segmentation fault with GPU

xiao helitrope at 126.com
Sat Nov 21 12:45:41 CET 2015

Dear GMX uses,
I got an error " segmentation fault (core dumped)" while i was doing a NVT equilibrium simulation, the error disappeared when GPU is disabled with -nb cpu.

The GMX version is gromacs-5.1.1.
The GPU is: GTX980

The GMX was compiled by the following command:
There is nothing wrong while installation.

There was nothing wrong while doing energy minimization by command: mdrun -deffnm em

Any information on this problem is appreciated.

Best regards


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