dangling pointer on FORCE

Nichols A. Romero naro... at gmail.com
Wed May 30 17:48:12 CEST 2007


I wasn't sure if bugs were intended to be posted here or to the bug forum. I
am reproducing here though:


I believe there is a dangling pointer somewhere in the CP2K code that is
very reproducible with my input file which I can post upon request. The
unchecked version of the code seems to fail at random steps during the BO MD
run. The check version of the code gives the following error:

forrtl: severe (408): fort: (7): Attempt to use pointer FORCE when it is not
associated with a target

Our computer scientist tells us that the following statement is needed
somewhere in the CP2K code:
if (.not. associated(FORCE)) then
print *,'Error, FORCE pointer not associated with a target)'

The version of the code that we are using is dated May 8, 2007. If someone
believes that it is fixed in a recent CVS version, we can go ahead and test.

Nichols A. Romero, Ph.D.
1613 Denise Dr. Apt. D
Forest Hill, MD 21050
443-567-8328 (C)
410-306-0709 (O)
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