Replica Exchange (Parallel)

From: M. Madhu (madhu7_at_hotmail.com)
Date: Thu Jan 25 2007 - 11:18:33 CST

Hello!

I tried to run the example (folding of deca alanine chain) for replica
exchange using NAMD2.6. It works fine when I spread jobs across
a given set of machines, as well as if I spread jobs across machines
assigned by queueing system (both on linux and mac clusters).

But when I tried to run the parallel replica on a linux clusters, they were
terminated with the following messages:

errpipe 1: connect to address 127.xxx.xx.xx: Connection refused
errpipe 0: connect to address 127.xxx.xx.xx: Connection refused
errpipe 0: connect to address 127.xxx.xx.xx: Connection refused
errpipe 0: trying normal rsh (/usr/bin/rsh)
errpipe 1: connect to address 127.xxx.xx.xx: Connection refused
errpipe 1: trying normal rsh (/usr/bin/rsh)
errpipe 0: machine1.edu: Connection refused
errpipe 0: Charmrun> Error 1 returned from rsh (machine1.edu:0)
errpipe 1: machine1.edu: Connection refused
errpipe 1: Charmrun> Error 1 returned from rsh (machine1.edu:0)
disconnect errpipe 0
disconnect errpipe 1
=========================================
Similarly, when I tried to run the parallel jobs on a Mac OS X clusters,
they were terminated with the following messages:

errpipe 1: machine1.edu: Connection refused
errpipe 1: machine2.edu: Connection refused
errpipe 1: Charmrun> Error 1 returned from rsh (machine2.edu:0)
disconnect errpipe 1
errpipe 0: machine9.edu: Connection refused
errpipe 0: machine2.edu: Connection refused
errpipe 0: Charmrun> Error 1 returned from rsh (machine9.edu:0)
disconnect errpipe 0
=========================================
I get the same message (connect to address 127.xxx.xx.xx: connection
refused)
if I just run charmrun namd2, that is
/pathname/charmrun /pathname/namd2
=========================================

Did anyone face this kind of problem? Can anyone help me with this?
Thank you very much.

Madhu

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