Difference between revisions of "Benchmarking: NAMD 2.10"
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</syntaxhighlight> | </syntaxhighlight> | ||
| − | 2 | + | 2. Build and test the Charm++/Converse library (multicore version): |
| − | |||
| − | |||
<syntaxhighlight> | <syntaxhighlight> | ||
cd charm-6.6.1 | cd charm-6.6.1 | ||
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make pgm | make pgm | ||
./pgm +p4 (multicore does not support multiple nodes) | ./pgm +p4 (multicore does not support multiple nodes) | ||
| + | cd ../../../../.. | ||
| + | </syntaxhighlight> | ||
| + | |||
| + | 3. Load an MPI Library. The chosen library here is OpenMPI 1.8.1 | ||
| + | |||
| + | 4. Build and test the Charm++/Converse library (MPI version): | ||
| + | <syntaxhighlight> | ||
| + | cd charm-6.6.1 | ||
| + | env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --with-production | ||
| + | cd mpi-linux-x86_64/tests/charm++/megatest | ||
| + | make pgm | ||
| + | mpirun -n 4 ./pgm (run as any other MPI program on your cluster) | ||
cd ../../../../.. | cd ../../../../.. | ||
</syntaxhighlight> | </syntaxhighlight> | ||
Revision as of 13:41, 9 January 2015
Download NAMD 2.10
Download NAMD 2.10 source code or prebuilt binaries from: http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD
Build from source
1. Unpack NAMD and matching Charm++ source code:
tar xzf NAMD_2.10_Source.tar.gz
cd NAMD_2.10_Source
tar xf charm-6.6.1.tar2. Build and test the Charm++/Converse library (multicore version):
cd charm-6.6.1
./build charm++ multicore-linux64 --with-production
cd multicore-linux64/tests/charm++/megatest
make pgm
./pgm +p4 (multicore does not support multiple nodes)
cd ../../../../..3. Load an MPI Library. The chosen library here is OpenMPI 1.8.1
4. Build and test the Charm++/Converse library (MPI version):
cd charm-6.6.1
env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --with-production
cd mpi-linux-x86_64/tests/charm++/megatest
make pgm
mpirun -n 4 ./pgm (run as any other MPI program on your cluster)
cd ../../../../..