RE: AMBER: Compilation problem at dual processor linux !

From: Ross Walker <>
Date: Wed, 2 Feb 2005 09:52:10 -0800

Dear Pradipta

> cd cytosine; ./Run.cytosine
> quantum: Connection refused

This is most likely a problem with the MPICH installation and machine set-up
than it is with the sander compilation. The "Connection refused" is the key.

rsh quantum uptime

If you get connection refused then that is indeed your problem. By default I
think MPICH installs to use rsh for starting threads on different machines.
If you have not setup your machines to use rsh without a password then you
will get the connection refused message. I suggest you check the mpich
documentation as it should have clear instructions on enabling rsh login
without passwords, or alternatively using a different communication method
(e.g. ssh). There are also test cases provided with mpich. Verify that these
work correctly. If the test cases work but Sander doesn't then we will need
to investigate further.

All the best

|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| | PGP Key available on request |

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Received on Wed Feb 02 2005 - 18:53:00 PST
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