<div dir="ltr">Hi,<div><br></div><div>Mentioning that this is produced by Justin's drude branch would have been considerate. ;-) I presume you can't <span style="line-height:1.5">reproduce the problem with master, 5.1.1 (or another released version)?</span></div><div><br></div><div>Mark</div></div><br><div class="gmail_quote"><div dir="ltr">On Tue, Jan 5, 2016 at 11:09 AM Puneet Singh <<a href="mailto:singh.punit1990@gmail.com">singh.punit1990@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div>Dear Sir/Madam,<br></div>I am facing issues with gromacs development version,<br><br><font size="1"><b>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</b></font><br><br></div><br><br><br>config_log<br><a href="https://drive.google.com/open?id=0B2ywpNeYZkgyX2xVektsYXdKOEk" target="_blank">https://drive.google.com/open?id=0B2ywpNeYZkgyX2xVektsYXdKOEk</a><br><div>make_log<br><a href="https://drive.google.com/open?id=0B2ywpNeYZkgyM3g2X1M2U1hWY0U" target="_blank">https://drive.google.com/open?id=0B2ywpNeYZkgyM3g2X1M2U1hWY0U</a><br><br></div><div>now when i run the executable with:<br></div><div>export OMP_NUM_THREADS=2<br></div><div>mpirun -np 1 gmx_mpi --ntomp 2<br><br></div><div>it runs fine(gmx_run.log_1), but with <br>mpirun -np 2 gmx_mpi --ntomp 2, <br><br>i get segfault (gmx_run.log)<br></div><div>Any help/hint will be very useful,<br></div><div>Awaiting your reply,<br><br></div><div>Regards,<br></div><div>Puneet Singh<br></div><div><br></div></div>
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