[gmx-developers] Regarding Gromacs VERSION 5.2-dev multiprocess segfault

[Mark Abraham]

Hi,

Mentioning that this is produced by Justin's drude branch would have been
considerate. ;-) I presume you can't reproduce the problem with master,
5.1.1 (or another released version)?

Mark

On Tue, Jan 5, 2016 at 11:09 AM Puneet Singh <singh.punit1990 at gmail.com>
wrote:

> Dear Sir/Madam,
> I am facing issues with gromacs development version,
>
> *CC="mpicc" CXX="mpicxx" CFLAGS="-fPIC" CPPFLAGS="-I$FFTW_INCLUDE_DIR"
> LDFLAGS="-L$FFTW_LIBRARY_DIR" CMAKE_INCLUDE_PATH="" CMAKE_LIBRARY_PATH=""
> cmake
> -DCMAKE_INSTALL_PREFIX:PATH=/home/cc/vfaculty/puneets.vfaculty/Gromacs-dev/gmx
> -DGMX_MPI=ON  -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/home/soft/cuda-7.0
> -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx
> -DCMAKE_PREFIX_PATH=/home/cc/vfaculty/puneets.vfaculty/caffe/CaffeDependencies/
> -DGMX_FFT_LIBRARY=fftw3  -DGMX_PREFER_STATIC_LIBS=ON
> -DGMX_CPU_ACCELERATION=NONE -DGMX_LAPACK_USER="-L/usr/lib64 -llapack -lblas
> -lgfortran" -DGMX_BLAS_USER="-L/usr/lib64 -lblas -lgfortran"
> -DFFTW_INCLUDE_DIR="/home/apps/FFTW/3.3.4/gnu/include"
> -DFFTW_LIBRARIES="/home/apps/FFTW/3.3.4/gnu/lib/libfftw3.a"
> -DCMAKE_PREFIX_PATH="/home/apps/FFTW/3.3.4/gnu/" .. 2>&1|tee
> cmake_config.log*
>
>
>
>
> config_log
> https://drive.google.com/open?id=0B2ywpNeYZkgyX2xVektsYXdKOEk
> make_log
> https://drive.google.com/open?id=0B2ywpNeYZkgyM3g2X1M2U1hWY0U
>
> now when i run the executable with:
> export OMP_NUM_THREADS=2
> mpirun -np 1 gmx_mpi --ntomp 2
>
> it runs fine(gmx_run.log_1), but with
> mpirun -np 2 gmx_mpi --ntomp 2,
>
> i get segfault (gmx_run.log)
> Any help/hint will be very useful,
> Awaiting your reply,
>
> Regards,
> Puneet Singh
>
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