Working on cluster to do umbrella sampling

From: Enrico Piccinini (
Date: Fri Nov 19 2004 - 04:39:13 CST

Hi. I have some questions for experts...

1) I'm trying to install NAMD on a beowulf cluster, can someone tell me
which of the pre-compiled version works better?
2) I'm not sure if this is the right one, but Linux-i686-Scyld-TCP
works. When I allocate 4 processors on the cluster with mpirun -np 4
namd2 conffile > logfile the output i get is the following and only 1
processor seems to be used.

Info: NAMD 2.5 for Linux-i686-Scyld-TCP
Info: Please visit
Info: and send feedback or bug reports to
Info: Please cite Kale et al., J. Comp. Phys. 151:283-312 (1999)
Info: in all publications reporting results obtained with NAMD.
Info: Based on Charm++/Converse 050612 for net-linux-scyld-tcp-icc
Info: Built Fri Sep 26 17:33:55 CDT 2003 by jim on
Info: Sending usage information to NAMD developers via UDP. Sent data
Info: 1 NAMD 2.5 Linux-i686-Scyld-TCP 1
Info: Running on 1 processors.

Is this normal and i am missing something?

3) The last one is my big problem: has anyone ever done umbrella
sampling with namd?

Thank you

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