AMBER Archive (2003)

Subject: Re: CCL:MPI run problem

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Wed Apr 16 2003 - 15:26:42 CDT

can you use rsh to log into those computers without
needing a password?
check that your rhosts file is working before trying
to run with MPI. this may not be an AMBER problem.
carlos
===================================================================
Carlos L. Simmerling, Ph.D.
Assistant Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================

----- Original Message -----
From: "William Wei" <william.wei_at_utoronto.ca>
To: "Amber List" <amber_at_heimdal.compchem.ucsf.edu>; "CCLers"
<CHEMISTRY_at_ccl.net>
Sent: Wednesday, April 16, 2003 12:36 PM
Subject: CCL:MPI run problem

> Hi all,
>
> I had and now again run into a connection problem. I am using SGI 44
> processors supercomputer. While I run multiple processor MD simulation
with
> sander, it told me connection refused:
> permission denied
> rsh: connection failed
>
> PI file like:
> server.UT.ca 0 /aspirin/software/amber7/amber7/exe/sander
> server.UT.ca 1 /aspirin/software/amber7/amber7/exe/sander
>
> My computer have two name, one is "server.ut.ca", the other is
> "server.md.ut.ca". sander always try to find server.UT.ca . It is because
I
> compiled sander before I used the name "server.MD.UT.ca". One account can
> run MD simulation but the other can not. These two accounts have same
> ~/.login ~/.cshrc. Could anyone give me some idea? Thanks a lot.
>
> Have a good day,
>
> William
>
> -------------------------
> William Wei
> Faculty of Pharmacy
> 19 Russell Street
> Toronto, ON. M5S 2S2
> Tel: 1-416-946-8469
> Fax: 1-416-978-8511
> Email: william_at_phm.utoronto.ca
> william.wei_at_utoronto.ca
> http://phm.utoronto.ca/~william
>
>
>
>
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