AMBER Archive (2004)

Subject: Re: AMBER: AMBER Gibbs Memory problem

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 27 2004 - 14:04:15 CDT

On Wed, Apr 28, 2004, Jiten wrote:
>
> When I tried to use gibbs it gives the following problem.
>
> --------------------
> DYNAMIC MEMORY
> ALLOCATED USED
> | INTEGER: 3750000 718885
> | REAL: 1500000 1489403
> | CHARACTER: 125000 145318
> CHARACTER USAGE > ALLOCATION
>
> When I look the amber reflector - there are similar queries but no reply.
>
> Could anybody suggest me where I need to modify so as to increase the
> memory size of gibbs.

You need to change the "memmax" parameter at the very top of the file "gib.f",
and recompile.

(cf. my usual diatribe against using gibbs in the first place:
     http://amber.ch.ic.ac.uk/archive/200404/0054.html )

...good luck...dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu