From owner-chemistry@ccl.net Wed Dec 26 07:11:00 2007
From: "Naser Eltaher Eltayeb nasertaha90~!~yahoo.co.uk" <owner-chemistry::server.ccl.net>
To: CCL
Subject: CCL:G: DecCub-RdMo error summery
Message-Id: <-35931-071226071010-4248-6FSp5qT5fshJ0OD9khptIQ::server.ccl.net>
X-Original-From: "Naser  Eltaher Eltayeb" <nasertaha90-x-yahoo.co.uk>
Date: Wed, 26 Dec 2007 07:10:06 -0500


Sent to CCL by: "Naser  Eltaher Eltayeb" [nasertaha90|*|yahoo.co.uk]
Dear All

Here I shall write the best replyies I get about my question below, I would like to thanx all people reply me

My question is:

"I am using G 03, I am trying to visullize HOMO and LUMO orbitals,
after I generate molecular orbital and save it as .chk, then I get the
error message below 
> 
> 
> "Running Cubegen Series Job...
> Executing Gaussian Cubegen =>
> C:\G03W\cubegen.exe 0 mo=174 "C:\G03W\Scratch\gv-1374\rjvjv.fch"
"C:\G03W\Scratch\gv-1374\00lx26.cub" -2 h
>  Out-of-memory error in routine DecCub-RdMO (IEnd=      10310160
MxCore=       6290325)
>  Use %mem=10MW to provide the minimum amount of memory required to
complete this step.
>  Error termination via Lnk1e at Fri Dec 21 12:27:21 2007.
> Cubegen Job Completed (PID = 1f50, status = 2057)
> Cubegen Series Job Completed"

The answer is 
The utility cubegen has a default memory setting which you can override
with the GAUSS_MEMDEF environment variable described in the User's
 Manual.

    For Windows you need to go through the Windows System Properties. 
Select the Advanced Tab in XP and at the bottom hit the Environment
Variables button.   If you are an administrator you can define this as
 a
System variable but any user can define it for themselves.  Select New
and enter the name in all CAPS as above.  Then enter a value as a
decimal number, the default is 6000000.  Since the utiltities don't
generally run a long time doing a fairly big number say 20000000 is not
a problem.  The units are words so this is 160MB