Topic Options
#824 - 01/11/04 11:17 AM what does this charmm message mean?
temuchin Offline
Forum Member

Registered: 11/13/03
Posts: 68
at the end of my .out file , ihave found this message:

ABNORMAL TERMINATION
MAXIMUM STACK SPACE USED IS 72000
STACK CURRENTLY IN USE IS 72000
MOST SEVERE WARNING WAS AT LEVEL 0
HEAP PRINTOUT- HEAP SIZE 10240000
SPACE CURRENTLY IN USE IS 480
MAXIMUM SPACE USED IS 480
FREE LIST
what does it mean?
thanks a lot
t.

Top
#825 - 01/11/04 01:00 PM Re: what does this charmm message mean? [Re: temuchin]
alex Offline

Forum Member

Registered: 10/04/03
Posts: 780

It appears that the problem is your system size is to large
for the version of charmm you are using. Recompile
charge with the large or xlarge specification and try
again.

alex
_________________________
School of Pharmacy
University of Maryland
20 Penn Street
Baltimore, MD, 21201

Top
#826 - 01/12/04 03:28 AM Re: what does this charmm message mean? [Re: alex]
temuchin Offline
Forum Member

Registered: 11/13/03
Posts: 68
thanks for your reply.
but my system consists of 4 RNA nucleotides!
t.

Top
#827 - 01/13/04 08:13 PM Re: what does this charmm message mean? [Re: temuchin]
rmv Online   content

Forum Member

Registered: 09/17/03
Posts: 8384
Loc: 39 03 48 N, 77 06 54 W
Then look for other errors earlier in the output file-- there's definitely a problem that's caused an overflow of an internal storage array known as the STACK which led to an ABNORMAL TERMINATION message.


_________________________
Rick Venable
computational chemist


Top

Moderator:  John Legato, lennart