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what does this charmm message mean?
#824 01/11/04 04:17 PM
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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.

Re: what does this charmm message mean?
temuchin #825 01/11/04 06:00 PM
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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
Re: what does this charmm message mean?
alex #826 01/12/04 08:28 AM
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thanks for your reply.
but my system consists of 4 RNA nucleotides!
t.

Re: what does this charmm message mean?
temuchin #827 01/14/04 01:13 AM
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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


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