[gmx-developers] How to instrument GROMACS with Vampir Trace?

[Mark Abraham]

Simplify - get non-MPI non-CUDA working first. Then you can perhaps find
the source of the problem. Check your VT works on another application.

Mark


On Mon, Aug 4, 2014 at 1:28 AM, Theodore Si <sjyzhxw at gmail.com> wrote:

>  Hi,
>
> Does anyone know how to do this?
> I tried to compile GROMACS with
>
> cmake .. -DCMAKE_BUILD_OWN_FFTW=ON -DCMAKE_C_COMPILER=vtcc
> -DCMAKE_CXX_COMPILER=vtcxx  -DGMX_MPI=on -DCMAKE_INSTALL_PREFIX=~/myprg/
> gmx -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-5.5 -DCMAKE_INCLUDE_PATH=
> ~/myprg/vt/include/vampirtrace
>
> After compilation, when I execute mdrun with a tpr file, I get a
> segmentation fault, and no Vampir trace result files are generated.
>
> What should I do?
>
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