Re: NAMD installation on Cray XD1 (AMD opteron 64-bit)

From: Jim Phillips (
Date: Mon Sep 25 2006 - 14:02:20 CDT

The ++local option isn't available for MPI builds. The charmrun script is
just a hack that calls mpirun, so forget it exists as well. Just run the
MPI-based pgm binary as you would any other MPI binary.


On Wed, 20 Sep 2006, Vani Krishna wrote:

> Hello,
> I am trying to install NAMD 2.6 on a CRAY XD1 machine running with AMD opteron 64-bit 2.4 GHz processor. The configuration consists of 6 nodes with 4 processors/node in a single chassis. I have been able to install the 'net-linux' form by compiling the source code. To get a better performance I am trying to install the 'mpi-linux' version of NAMD. I am having some issues doing that and I have tried looking at the archive, but couldn't find a similar issue faced by other AMD 64 queries.
> I am getting stuck in testing the charmrun after building it. I have tried the following to build charm:
> ./build charm++ mpi-linux-amd64
> ./build charm++ mpi-linux-amd64 -O -DCMK_OPTIMIZE=1
> In both cases, when i try to run the 'megatest':
> ==========================================
> cd mpi-linux-amd64/tests/charm++/megatest/
> make pgm
> ./charmrun ++local +p4 ./pgm
> ==========================================
> I run into the following problem:
> ===========================================
> ./charmrun ++local +p4 ./pgm
> Running on 4 processors: ++local ./pgm
> Unrecognized argument ++local ignored.
> Without hostfile option, hostnames must be specified on command line.
> Usage: mpirun_rsh -np N [-debug] [-paramfile pfile] [-show] [-tv] [-xterm]
> (-hostfile hfile | h1 h2 ... hN)
> <progname> [options...]
> Where:
> np => specify the number of processes
> debug => run each process under the control of gdb
> paramfile => file containing the run-time MRICH parameters
> show => show the commands but don't execute them
> tv => run each process under the control of totalview
> xterm => run the remote processes under xterm
> hostfile => name of the file contining the hosts on which
> to run the job, one per line
> or
> h1 h2 ... => names of the hosts on which to run the job
> progname => name of the MPI binary
> options => arguments for the MPI binary
> ======================================================
> are there any solutions to this?
> Thanks
> Vani
> ---------------------------------
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