Gaussian Error
- From: srwhttl-.at.-mta.ca
- Subject: Gaussian Error
- Date: Wed, 23 Jul 2003 10:07:55 -0300
CCL,
This error has came up with various calculations, all having to do with a DNA
triplex BSSE calculation that has at least one base with ghosted atoms. It has
also came up with someone else not working with DNA triplexes. I have tried
adjusting the number of processors and also the memory being used, to no avail.
I am running the calculations in parallel with Linda, over 8-16 processors.
Here is the error message that comes up at the end of the file:
"Warning! Spurious integrated density:
NE= 136 NElCor= 0 Integral= 351.75570 Tolerance=1.00D-03
Consistency failure #2 in CalDSu.
Error termination via Lnk1e in
/usr/local/gaussian/g98/linda-exe/l502.exel."
Thanks
Sarah Whittleton
Mount Allison University