Re: AMBER: Sander Replica Exchange exits with unit 6 error

From: Carlos Simmerling <>
Date: Mon, 17 Jan 2005 12:17:56 -0500

do you know if the exchange actually occurred? check the remlog and
see if it did the exchange. maybe the problem is in a different process
opening the file created by the other. if they did exchange, then increase
the difference in the temperatures in order to force them to not have a
successful exchange (like 200K and 500K) and see if it still crashes.
obviously that isn't the simulation you want to do but it will help
narrow down the

Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web:
Stony Brook, NY 11794-5115 E-mail:

Jordi Rodrigo wrote:

>Hi Guangiei,
>we have tried to run the job under various locations. The TMPDIR is a
>temporary directory created automatically and specificaly for submitted job
>and destroyed at the end of the job. The space is local for performance
>reasons (the i/o are way fasters). But we have tried also to run the job on
>GPFS shared directories. GPFS is an IBM proprietary NFS-like. But in both
>cases we continue to get the same error:
> Unit 6 Error on OPEN: mdout.rem.001
> Unit 6 Error on OPEN: mdout.rem.000
>Your help is very appreciated,
>Gilles and Jordi

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Received on Mon Jan 17 2005 - 17:53:00 PST
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