AMBER Archive (2005)

Subject: Re: AMBER: replica exchange trouble with unit 6

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Jan 27 2005 - 09:10:20 CST


what kind of machine is it? are you writing to a disk that is shared
by all nodes?

===================================================================
Carlos L. Simmerling, Ph.D.
Associate 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
===================================================================

Yuuki Komata wrote:

>Hello ambers,
>
> I am trying replica exchange (Multisander REM) with amber8 on SunOS 5.9.
>I succeeded to install with command 'make parallel' with adding '-DREM' to
>AMBERBUILDFLAGS. Installation was all O.K.
>
> But when I downloaded the Replica exchange test suits from AMBER web
>to test the program, it aborts with core and message;
>
> WorldRank = 5
> NodeID = 1
>
> WorldRank = 7
> NodeID = 1
>
> WorldRank = 1
> NodeID = 1
>
> WorldRank = 3
> NodeID = 1
>
>
> Unit 6 Error on OPEN: ./rem.out.000
>
>
> RUNNING MULTISANDER VERSION OF SANDER AMBER8
> Total processors = 8
> Number of groups = 4
>
> Looping over processors:
> WorldRank is the global PE rank
> NodeID is the local PE rank in current group
>
> Group = 0
> WorldRank = 0
> NodeID = 0
>
>Fatal error, aborting.
>
> Unit 6 Error on OPEN: ./rem.out.003
>
> Group = 3
> WorldRank = 6
> NodeID = 0
>
>Fatal error, aborting.
>Job cre.2427 on shikotsu-sv: received signal ABRT.
> ./Run.rem: Program error
>
>
>This problem was just the same as Mrs. Jordi Rodrigo and Mrs. Gilles Marcou
>experienced on Jan 17, 2005 on IBM SP4/AIX. It seemes to solved modifying
>mdread.f and mdfil.f, but it made no sence for my SunOS.
>
> I checked all the comments for Mrs. Jordi Rodrigo and Mrs. Gilles Marcou case
>and found all of them could not solve my problem. I want to know what is the
>problem. I'd like any suggestion.
>
>Yuuki Komata
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