AMBER Archive (2005)

Subject: AMBER: lastrst

From: Stern, Julie (jvstern_at_bnl.gov)
Date: Tue Feb 22 2005 - 19:21:00 CST

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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