Difference between revisions of "Benchmarking: NAMD 2.10"

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== Build from source ==
 
== Build from source ==
  
* Unpack NAMD and matching Charm++ source code:
+
1. Unpack NAMD and matching Charm++ source code:
 
<syntaxhighlight>
 
<syntaxhighlight>
 
tar xzf NAMD_2.10_Source.tar.gz
 
tar xzf NAMD_2.10_Source.tar.gz
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tar xf charm-6.6.1.tar
 
tar xf charm-6.6.1.tar
 
</syntaxhighlight>
 
</syntaxhighlight>
* Build and test the Charm++/Converse library (multicore version):
+
 
cd charm-6.6.1
+
2. Build and test the Charm++/Converse library (multicore version):
./build charm++ multicore-linux64 --with-production
+
<syntaxhighlight>
cd multicore-linux64/tests/charm++/megatest
+
cd charm-6.6.1
make pgm
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./build charm++ multicore-linux64 --with-production
./pgm +p4  (multicore does not support multiple nodes)
+
cd multicore-linux64/tests/charm++/megatest
cd ../../../../..
+
make pgm
 +
./pgm +p4  (multicore does not support multiple nodes)
 +
cd ../../../../..
 +
</syntaxhighlight>

Revision as of 11:31, 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.tar

2. 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 ../../../../..