Compile NAMD on Bluegene

From: Dong Luo (
Date: Wed Jun 14 2006 - 16:17:13 CDT

According to NAMD wiki, I downloaded fftw and tcl
library, charm++ and NAMD source files from the
charm++ is successfully built by:
build charm++ mpi-bluegenel xlc
However, it require me to define BL_HOME environment
variable to run charmrun.
Skipping the test, I continued to comile NAMD. I
edited the Make.charm, BlueGeneL.fftw to give
corrected path. There is no BlueGeneL.tcl in the arch
directory, so I copied Aix-Power.tcl to BlueGeneL.tcl
and modified accordingly. The config by:
config fftw tcl MPI-BlueGeneL-xlC
has no problem.
When I go into the directory and typed make,
it turned out can't find
/opt/ibmcmp/vacpp/6.0/bin/blrts_xlC .
By checking the path, I find the version has been
upgraded to 7.0, so I edited BlueGeneL-MPI-xlC.arch
accordingly and this problem went away when I type
make again.
This time, after compiled for a while, the new problem
came out as:
"src/ComputePme.C", line 8.10: 1540-0836 (S) The
#include file <sfftw.h> is not found.
"src/ComputePme.C", line 9.10: 1540-0836 (S) The
#include file <srfftw.h> is not found.
I checked the fftw directory and find out there are
only fftw.h and rfftw.h in the include directory.
As the fftw libary are downloaded from the website as
suggested (I downloaded the file
fftw-bluegene.tar.gz), I now have no idea how to fix
this problem.
Please give some hints. Thanks.

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