InfiniPath and NAMD

From: David Sept (
Date: Mon Jul 24 2006 - 14:57:03 CDT

I am trying to compile NAMD on a set of new cluster nodes with
infiniband cards. The drivers for the cards are from Pathscale and
include precompiled mpi libraries that work very well, however in order
to use the compilers (mpicc, etc.) you need the Pathscale compiler suite
(which I do not have).

I am attempting to build charm++ and namd using the intel 9.0 compilers
and linking explicitly with the mpi libraries. This works for charm++
and the megatest tests all work fine. I can also compile namd, however
when I try and run it I get the following error:

0 - MPI_INIT : MPIRUN chose the wrong device ch_p4; program needs \
    device ch_ipath

I can't find any explicit channel request in the namd source code, but
maybe I'm missing something? I thought having charm++ would be the
challenge here :)

Thanks in advance,


David Sept, Ph.D.
Assistant Professor
Department of Biomedical Engineering
Center for Computational Biology
Washington University
Campus Box 1097
One Brookings Drive
St. Louis, MO  63130-4899
Phone: (314) 935-8837
Fax:   (314) 935-7448

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