Re: AMBER: sander lastist

From: David A. Case <case.scripps.edu>
Date: Sat, 15 Nov 2003 09:40:13 -0800

On Sat, Nov 15, 2003, Frederico.Miranda.ibmb.uib.no wrote:

> Exceeding lastist in get_istack
> lastist = 2000000
> top_stk= 1794920
> isize = 269238
> request= 2064158
> Increase MAX_ISTACK in sizes.h and recompile
>
> lastist value appears as 2000000, but I specified in the input file a value of
> 10000000:
>

The lastist read in in the namelist only works if you have -DMEM_ALLOC
defined when you compiled sander. As the "recompile" message indicates (to
me!), you are using a static version of sander, and you will need to
recompile, as indicated. Look at the code in istack.f to see what is going
on.

...good luck...dac 

-- 
==================================================================
David A. Case                     |  e-mail:      case.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.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sat Nov 15 2003 - 17:53:00 PST
Custom Search