From owner-chemistry@ccl.net Wed Nov  5 20:08:00 2008
From: "Yi-wen Dong typ2469^_^163.com" <owner-chemistry|*|server.ccl.net>
To: CCL
Subject: CCL:G: Failure calculation of electronic density by G98
Message-Id: <-38040-081105200643-32518-g+bOJAsHUFZje39bJoPcpg|*|server.ccl.net>
X-Original-From: "Yi-wen  Dong" <typ2469##163.com>
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