CCL:G: Failure calculation of electronic density by G98
- From: "Yi-wen Dong" <typ2469##163.com>
- Subject: CCL:G: Failure calculation of electronic density by
G98
- Date: Wed, 5 Nov 2008 20:06:39 -0500
Sent to CCL by: "Yi-wen Dong" [typ2469]*[163.com]
Dear Dr. JC Poully,
Thank you for your replying.
I have difficult in increasing the memory, as when the %mem is increased to over
1550 mw, the calculation crashs immediately on my Dell 450 computer. On the
other hand the maxdisk has a limit of 2 GB for G98 (1960mw correspond to 1.6
GB), thus the possibility of increasing the memory and maxdisk appear to
impossible for this very large molecule (about 350 atoms). Would you like to
tell me further suggestions for me about the failur calculation? Thank you very
much!
Best wishes!
Dr. Y.-w. Dong