Dear All, I am trying to do some calculations on simple silicon with GPU support as a test case before proceeding serious work. QE-GPU has been installed by intel cluster suite 13, cuda 5.5 and latest svn commits of QE and QE-GPU. MANUAL_DFLAGS = -D__MPICH_SKIP_MPICXX -D__ISO_C_BINDING -D__VERBOSE DFLAGS = -D__INTEL -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK -D__ELPA -D__CUDA -D__PHIGEMM -D__OPENMP $(MANUAL_DFLAGS) I have for 4 nodes. Each one has 24 cores and 2 GPU support so totally 96 cores + 8 GPU. I haven't got any problem for 1 node. I did it. When I passed to bigger than 1 node I am getting warnings, for example, ***WARNING: unbalanced configuration (1 MPI per node, 2 GPUs per node) ***WARNING: unbalanced configuration (13 MPI per node, 2 GPUs per node) So, I am in trouble for sharing the cores between MPI and threads for OpenMP. Question: How should I share the cores between MPI and OpenMP threads? Here is my case: #SBATCH -N 4 #SBATCH -n 4 #SBATCH --gres=gpu:2 module load centos6.4/lib/cuda/5.5 export OMP_NUM_THREADS=24 export MKL_NUM_THREADS=$OMP_NUM_THREADS export PHI_DGEMM_SPLIT=0.975 export PHI_ZGEMM_SPLIT=0.975 mpirun pw-gpu.x -nd 1 < si.in > out.GPU Sincerely Yours, Mutlu. ------------------------------------------Mutlu ÇOLAKOĞULLARITrakya Universitesi Fen FakultesiFizik Bolumu22030 Merkez-EDIRNE/TURKEY
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