Subject: G94:SUMMARY:Out of memory in l303.exe

From: Grzegorz Bakalarski <[email-masked]>
Date: Fri, 23 Feb 1996 17:14:11 +0100

Dear Netter,

Many thanks to all who respond for my querry on l303.exe in Gaussian 94.
I've got some useful advices and some comments. There was a little 
confusion about system I've metioned, because I've forgot to add diffusive
functions in my mail (opposite to my input file). Finally my initial input
line was:
#P blyp/6-311++(2df,2pd) scf=(direct).
and the system was Zn2+H2O, which gave 138 basis functions and 38 electrons.

The final solution I've chosen, was (proposed by [email-masked]) 
to skip l303.exe. So my input line was:

%Mem=5000000
 #P blyp/6-311++(2df,2pd) IOP(3/36=-1)  scf=(direct)

 I was able to do SCF however for optimization I had to add
more memory.

Thanks again, and best wishes,-
				Grzegorz Bakalarski

**********
***************************
**********************************************
HERE BEGINS FULL SUMMARY:
***********************************************************************
***********************************************************************
ORIGINAL QUERRY:
**********************************************
**************************
*********
Dear Netters,
 
I am quite new in using G94. So maybe it is a FAQ ... .
I have a system with 138 basis functions. (H2O...ZN2+)
and I use 6-311(2df,2pd) basis set. Until I request
at least 10MW memory (%Mem=6 000 000), I get a   
message: 
 
(Enter /scratch/gaussian_OSF1/g94/l303.exe) 
 DipDrv:  MaxL=1. 
 Out of memory in DipPsm. 
 Error termination via Lnk1e in /scratch/gaussian_OSF1/g94/l303.exe. 
 
In G94 User Reference I found that l303 calculates multipole integrals.
 
My question are:
^^^^^^^^^^^^^^^
1) What are these "multipole integrals"Remote server has closed connection
2) Is there any way to force Gaussian to use smaller amount of memory ?
( I tried SCF=DIRECT or SCF=CONVENTIONAL or INT=NoRaffinetti and other options )
 
Thanks for any help. I will summarize if there will be any interest .
 
Grzegorz Bakalarski

**********
***************************
***********************************************************************
			RESPONSES:
***********************************************************************
**************************
*********