Difference between revisions of "Benchmarking: Quantum Espresso 5.0.2 GPU"
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| − | Requirements | + | == Requirements == |
- CUDA 5.0 <br> | - CUDA 5.0 <br> | ||
- Intel compilers <br> | - Intel compilers <br> | ||
| Line 5: | Line 5: | ||
- Open MPI (compiled with intel comilers) <br> | - Open MPI (compiled with intel comilers) <br> | ||
| − | + | == Download == | |
Traverse to the install directory | Traverse to the install directory | ||
Download QE 5.0.2 and untar it | Download QE 5.0.2 and untar it | ||
| Line 17: | Line 17: | ||
cd GPU | cd GPU | ||
| + | == Configure and build == | ||
Load modules | Load modules | ||
module load cuda/5.0 | module load cuda/5.0 | ||
Revision as of 06:45, 18 February 2013
Requirements
- CUDA 5.0
- Intel compilers
- Intel MKL (whatever version above 10)
- Open MPI (compiled with intel comilers)
Download
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
Configure and build
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