Difference between revisions of "Benchmarking: Quantum Espresso 5.0.2 GPU"
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(Created page with "Requirements - CUDA 5.0 - Intel compilers - Intel MKL (whatever version above 10) - Open MPI (compiled with intel comilers) Traverse to the install directory Download QE 5.0...") |
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| Line 1: | Line 1: | ||
Requirements | Requirements | ||
| − | - CUDA 5.0 | + | - CUDA 5.0 <br> |
| − | - Intel compilers | + | - Intel compilers <br> |
| − | - Intel MKL (whatever version above 10) | + | - Intel MKL (whatever version above 10) <br> |
| − | - Open MPI (compiled with intel comilers) | + | - Open MPI (compiled with intel comilers) <br> |
| Line 18: | Line 18: | ||
Load modules | Load modules | ||
| − | cuda/5.0 | + | module load cuda/5.0 |
| − | intel/compilers/13.0.1 | + | module load intel/compilers/13.0.1 |
| − | openmpi/1.6.3-gpu-intel-compilers | + | module load openmpi/1.6.3-gpu-intel-compilers |
Configure | Configure | ||
Revision as of 06:44, 18 February 2013
Requirements
- CUDA 5.0
- Intel compilers
- Intel MKL (whatever version above 10)
- Open MPI (compiled with intel comilers)
Traverse to the install directory
Download QE 5.0.2 and untar it
wget http://qe-forge.org/gf/download/frsrelease/116/403/espresso-5.0.2.tar.gz tar zxf espresso-5.0.2.tar.gz
Change directory to espresso-5.0.2 Download QE 5.0.2 GPU plugin untar
wget http://qe-forge.org/gf/download/frsrelease/119/419/QE-GPU-5.0.2-build2.tar.gz tar zxf QE-GPU-5.0.2-build2.tar.gz cd GPU
Load modules
module load cuda/5.0 module load intel/compilers/13.0.1 module load openmpi/1.6.3-gpu-intel-compilers
Configure
./configure --enable-parallel --enable-openmp --enable-cuda \ --with-gpu-arch=35 --with-cuda-dir=/shared/apps/cuda/cuda-5.0 \ --enable-magma --enable-phigemm
Build Move to espresso top directory
cd .. make -f Makefile.gpu pw-gpu