[molpro-user] MP2-F12

Glen Jenness GRJ3 at pitt.edu
Thu Nov 11 19:14:05 GMT 2010


Dear Users,
I have a couple questions regarding MP2-F12.

1)  Is it normal behavior to use a large amount of diskspace when using
it?  I find even when I'm using it in direct that I can end up using a
large amount of disk.

2)  Every so often I get an error message like:

"Last System Error Message from Task 2:: Inappropriate ioctl for device
  2: ARMCI aborting 0 (0).
system error message: Invalid argument
  8: interrupt(1)
Last System Error Message from Task 5:: Numerical result out of range
Last System Error Message from Task 6:: Numerical result out of range
Last System Error Message from Task 7:: Numerical result out of range
"

I'm guessing somewhere I'm either dividing by zero or generating some very
large number-but it's not immediately clear where this error would be
coming from.

Thank you for your time!
Glen Jenness




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