Difference between revisions of "Benchmarking: AMBER 12"
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==Build== | ==Build== | ||
Serial Version | Serial Version | ||
| − | <syntaxhighlight> | + | <syntaxhighlight>./configure -noX11 intel |
| − | ./configure -noX11 intel | + | make install</syntaxhighlight> |
| − | make install | ||
| − | </syntaxhighlight> | ||
Single GPU Version | Single GPU Version | ||
| − | <syntaxhighlight> | + | <syntaxhighlight>export CUDA_HOME=/shared/apps/cuda/cuda-5.0 |
| − | export CUDA_HOME=/shared/apps/cuda/cuda-5.0 | + | ./configure -noX11 -cuda intel</syntaxhighlight> |
| − | ./configure -noX11 -cuda intel | ||
| − | </syntaxhighlight> | ||
Multi GPU Version | Multi GPU Version | ||
| − | <syntaxhighlight> | + | <syntaxhighlight>module load mvapich2/1.8.1-intel-compilers |
| − | module load mvapich2/1.8.1-intel-compilers | + | ./configure -noX11 -cuda -mpi intel</syntaxhighlight> |
| − | ./configure -noX11 -cuda -mpi intel | ||
| − | </syntaxhighlight> | ||
Revision as of 10:36, 7 March 2013
Requirements
- Cuda 5.0
- Intel Compilers
Build Environment
module load intel/compilers/13.0.1
export AMBERHOME=`pwd`
export CXX=icpc
export FC=ifort
export F90=ifort
export CC=iccBuild
Serial Version
./configure -noX11 intel
make installSingle GPU Version
export CUDA_HOME=/shared/apps/cuda/cuda-5.0
./configure -noX11 -cuda intelMulti GPU Version
module load mvapich2/1.8.1-intel-compilers
./configure -noX11 -cuda -mpi intel