Namd 2.9 on a BlueGene/Q machine

From: Vasudevan V (vasu.chemical_at_gmail.com)
Date: Wed Dec 26 2012 - 17:29:34 CST

Hello,

I have been trying to compile NAMD 2.9 on a Blue Gene/Q machine. The steps
I followed were

1. I got the fftw-bluegenq and tcl-bluegenq binaries from
http://www.ks.uiuc.edu/Research/namd/libraries.
2. I was able to build charm-6.4.0 with the following command

./build charm++ mpi-bluegene-xlc --with-production

3. In the NAMD source code made changes to the paths of the fftw and tcl
libraries in arch/BlueGeneQ.fftw and arch/BlueGeneQ.tcl.

./config tcl fftw BlueGeneQ-MPI-xlC

While running make in the BlueGeneQ-MPI-xlC directory I get the following
error message

"src/ComputeNonbondedBase2.h", line 32.9: 1540-1401 (I) An unknown "pragma
ivdep" is specified.
"src/ComputeNonbondedBase2.h", line 32.9: 1540-1401 (I) An unknown "pragma
ivdep" is specified.
"src/ComputeNonbondedBase.h", line 1956.9: 1540-1401 (I) An unknown "pragma
ivdep" is specified.
1586-409 (U) File "/gpfs/sb/home/MMBS/shared/
BGq/src/NAMD_2.9_Source/BlueGeneQ-MPI-xlC/xlCcode" not found.
make: *** [obj/ComputeNonbondedStd.o] Error 1

I seem to be having the exact same issue as
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2011-2012/4143.html
Am I missing something ?

Regards
Vasu

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