Difference between revisions of "Benchmarking: AMBER 12"
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export CC=icc</syntaxhighlight> | export CC=icc</syntaxhighlight> | ||
==Build== | ==Build== | ||
| − | Serial Version | + | ===Serial Version=== |
<syntaxhighlight>./configure -noX11 intel | <syntaxhighlight>./configure -noX11 intel | ||
make install</syntaxhighlight> | make install</syntaxhighlight> | ||
| − | Single GPU Version | + | ===Single GPU Version=== |
<syntaxhighlight>export CUDA_HOME=/shared/apps/cuda/cuda-5.0 | <syntaxhighlight>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>module load mvapich2/1.8.1-intel-compilers | <syntaxhighlight>module load mvapich2/1.8.1-intel-compilers | ||
./configure -noX11 -cuda -mpi intel</syntaxhighlight> | ./configure -noX11 -cuda -mpi intel</syntaxhighlight> | ||
Revision as of 10:37, 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