AMBER Archive (2005)

Subject: Re: AMBER: lastrst

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Tue Feb 22 2005 - 19:39:37 CST

can you post the entire output so we can see what sander was reading?

===================================================================
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
===================================================================

Stern, Julie wrote:

>I keep getting the following error message no matter how large I make
>lastrst
>in my minimization file as if it weren't reading what I'm setting. I even
>went as high as 10e+32.
>
>Any suggestions?
>
>
>Exceeding lastrst in get_stack
> lastrst = 3564
> top_stk= 0
> isize = 22133
> request= 22133
> Increase lastrst in the &cntrl namelist
>
>Minimization intpminimization
>&cntrl
> imin=1,
> ncyc=250,
> maxcyc=1000,
> lastrst=8000000,
> lastist=8000000,
> ntf=1,
> ntc=1,
> ntpr=10,
> igb=0,
> ntb=1,
> cut=3.0,
> ibelly=1,
> bellymask='!@SA',
>&end
>
>
>>From the minimization output:
>
>| Memory Use Allocated
>| Real 89727
>| Hollerith 69
>| Integer 42095
>| Max Pairs 55
>| Max Rstack 3564
>| Max Istack 55
>| Total 893 kbytes
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