Hi,
Strangely enough I have come across this error in our group recently. I have
seen it happen a few times due to poor parameterisation, however, we have
also seen it recently for a perfectly good trajectory.
I have finally managed to track it down to a dodgy dimm - out of 1 Gb of
memory we had a single bit that was sticking at 1 occasionally and this was
enough to cause random ewald bombs. This was discovered after about a month
of pulling our hair out. Hence you may want to check your memory at the
same time as your parameters. Do you get very random unexplained crashes of
the machine occasionally? - This is also what were observing as well as the
ewald bombs.
Hope this helps
/\
\/
|\oss Walker
| Imperial College of Science, Technology & Medicine |
| Department of Chemistry | Theoretical Division |
| Tel:- +44 207 59(45851) / +44 7958 970896 |
| EMail:- r.c.walker_at_ic.ac.uk |
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> -----Original Message-----
> From: Mahadevan Seetharaman [mailto:maha_at_vwl.medc.umn.edu]
> Sent: 15 February 2001 22:46
> To: amber_at_cgl.ucsf.edu
> Subject: EWALD BOMB
>
>
>
> Hi
>
> I am running ewald on a DNA hairpin and the program keeps exiting with
> the following message
>
> "EWALD BOMB in subroutine ewald_list
> volume of ucell too big
> a regular restart should fix things"
>
> Can someone help me out on this, a regular restart doesn't seem to help.
>
> Thanx
> Mahadevan
>
> ------------------------------------------------------------------
> -------------
> "Not everything that counts can be counted, and not everything that can be
> counted counts." (Sign hanging in Einstein's office at Princeton)
>
> Mahadevan Seetharaman, Grad. Student 708 University Ave SE #7
> Dept. of Medicinal Chemistry Minneapolis, MN 55414
> University of Minnesota Ph:(612)-378-1987 (H)
> 308, Harvard St. SE Minneapolis, MN 55455 (612)-626-3612 (O)
> ------------------------------------------------------------------
> -------------
>
>
>
>
Received on Thu Feb 15 2001 - 15:10:02 PST
