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

From: Vani Krishna (vakri2002_at_yahoo.com)
Date: Wed Sep 20 2006 - 23:46:37 CDT

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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