Difference between revisions of "Benchmarking: Quantum Espresso 5.0.2 GPU"
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== Download == | == Download == | ||
| − | Traverse to the install directory | + | 1. Traverse to the install directory |
Download QE 5.0.2 and untar it | Download QE 5.0.2 and untar it | ||
wget http://qe-forge.org/gf/download/frsrelease/116/403/espresso-5.0.2.tar.gz | wget http://qe-forge.org/gf/download/frsrelease/116/403/espresso-5.0.2.tar.gz | ||
tar zxf espresso-5.0.2.tar.gz | tar zxf espresso-5.0.2.tar.gz | ||
| − | Change directory to espresso-5.0.2 | + | 2. Change directory to espresso-5.0.2 |
Download QE 5.0.2 GPU plugin untar | 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 | wget http://qe-forge.org/gf/download/frsrelease/119/419/QE-GPU-5.0.2-build2.tar.gz | ||
| Line 18: | Line 18: | ||
== Configure and build == | == Configure and build == | ||
| − | Load modules | + | 3. Load modules |
module load cuda/5.0 | module load cuda/5.0 | ||
module load intel/compilers/13.0.1 | module load intel/compilers/13.0.1 | ||
| Line 28: | Line 28: | ||
--enable-magma --enable-phigemm | --enable-magma --enable-phigemm | ||
| − | Build <br> | + | 4. Build <br> |
Move to espresso top directory | Move to espresso top directory | ||
cd .. | cd .. | ||
make -f Makefile.gpu pw-gpu | make -f Makefile.gpu pw-gpu | ||
Revision as of 06:47, 18 February 2013
Requirements
- CUDA 5.0
- Intel compilers
- Intel MKL (whatever version above 10)
- Open MPI (compiled with intel comilers)
Download
1. 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
2. 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
3. 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
4. Build
Move to espresso top directory
cd .. make -f Makefile.gpu pw-gpu