Difference between revisions of "NAMD"
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%> ./config Linux-amd64-g++ | %> ./config Linux-amd64-g++ | ||
%> cd Linux-amd64-g++ | %> cd Linux-amd64-g++ | ||
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%> ./charmrun ++local ./namd2 src/alanin | %> ./charmrun ++local ./namd2 src/alanin | ||
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| − | You should have generated | + | You should have generated TAU performance data. |
Revision as of 23:45, 15 January 2009
Guide to building and running NAMD 2.6 with TAU
Currently this guide is for building NAMD and charm++ from source on x86 64-bit architecture. One would follow similar step on other machines but some of the file names would be changed.
Building Charm++
Automatic instrumentation of charm applications using TAU is available in the unreleased version of Charm++ which you can download here: http://charm.cs.uiuc.edu/download/ (click on the nightly CVS source archive). To compile Charm++:
%> cd charm %> ./build charm++ net-linux-amd64 -O3 ... %> ./build charm++ mpi-linux-amd64 --tau-makefile=$HOME/tau2/x86_64/lib/Makefile-tau-mpi -O3
As always the TAU Makefile you specify determines what profiling/tracing options to use. Wait for charm to finish building then test the configuration by:
%> cd mpi-linux-amd64/tests/charm++/simplearrayhello %> make OPTS='-tracemode Tau' %> ./charmrun ./hello +p4
Verify that this program runs without any errors and that you generate profiles files for each processor.
Building TAU
Make sure to have the latest version of TAU installed on your system. To configure TAU to work with charm++ do the following:
%> cd tau2 %> ./configure -pdt=<path to pdt> -charm=<path to the NAMD_2.6_Source/charm-5.9> ... %> make clean install
To confirm TAU is working properly with charm++ try running this example program:
%> cd examples/charm %> export PATH=<path to NAMD/charm-5.9/bin> %> make %> ./charmrun ++local ./pgm
Verify that profile files have been generated in this directory. uilding NAMD 2.6==
Begin in NAMD's home directory:
%> cd NAMD_2.6_Source %> ./config Linux-amd64-g++ %> cd Linux-amd64-g++
If everything works properly you should now have a namd2 executable. Test by running:
%> ./charmrun ++local ./namd2 src/alanin
You should have generated TAU performance data.
