[gmx-users] segmentation fault with GPU

[Mark Abraham]

Hi,

You need to start by looking at your log file and terminal output.

Mark

On Sat, Nov 21, 2015 at 12:46 PM xiao <helitrope at 126.com> wrote:

> 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:
> cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
> -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_INSTALL_PREFIX=/home/gromacs5
> 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
>
>
> Fugui
>
>
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