NAMD

Guide to building a running NAMD 2.6 with TAU

Current this guide is for build NAMD and charm++ from source on x86 64-bit architecture. One would follow similar step on other machines but we have experienced additional difficulties.

Building Charm++

After downloading NAMD_2.6_Source.tar.gz do the following:

%> tar xzf NAMD_2.6_Source.tar.gz
%> cd NAMD_2.6_Source
%> tar xf charm-5.9.tar
%> cd charm-5.9
%> ./build charm++ net-linux-amd64

Wait for charm to finish building then test the configuration by:

%> cd net-linux-amd64/tests/charm++/simplearrayhello
%> make
%> ./hello
%> ./charmrun ++local ./hello

Verify that this program running with any error before continuing.