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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