mpirun compilation for NAMD

From: Neelanjana Sengupta (
Date: Wed Dec 03 2008 - 07:46:54 CST

Hello all,

I am trying to compile NAMD (from the source) for mpirun usage. Now, the
instructions given in "notes.txt" is the foll:
*If you're building an MPI version you will probably need to edit
compiler flags or commands in the Charm++ src/arch directory. The
file charm/src/arch/mpi-linux/ contains the definitions
that select the mpiCC compiler for mpi-linux, while other compiler
choices are defined by files in charm/src/arch/common/.*
I edited the file. *Since there is no specific instruction for
mpirun compilation*, I did the foll:

*./build charm++ net-linux --no-shared -O -DCMK_OPTIMIZE=1*
This built charm++, and not mpirun.

This did not get me the mpirun compilation either:
*./build mpirun net-linux --no-shared -O -DCMK_OPTIMIZE=1*

Can someone point out what I should be doing here?


Neelanjana Sengupta, PhD
Physical and Materials Chemistry Division
National Chemical Laboratory
Dr. Homi Bhaba Road
Pune 411008, India
Phone: +91-20-2590 2087

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