compiling namd-lite

From: Hassan Kianinejad (
Date: Thu Mar 06 2014 - 19:08:28 CST


I am trying to do profiling on namd-lite and I have two problems (I am a computer science major and want to go through the sequential source code):

1. When I want to compile the source code and generate the binaries, I am looking into the "GNUmakefile" but I cannot find the line it calls gcc, g++ or anything like that so that I could add -pg to use gprof for profiling.

2. I have downloaded some NAMD benchmarks, apoa1, stmv, etc and I am willing to run them on NAMD-lite also (I have already ran them on NAMD); but I did not find any instructions to run those on NAMD-lite. I would really appreciate it if you could give me some instructions for doing that.

Kind regards,

Hassan Kianinejad
Graduate Student

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