From owner-chemistry@ccl.net Mon Oct 22 16:09:01 2007
From: "Cristian V. Diaconu cvdiaconu*lanl.gov" <owner-chemistry%%server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian is unable to allocate space.
Message-Id: <-35446-071022155357-22908-gZJoBjGIGD4icAwnUznqHQ%%server.ccl.net>
X-Original-From: "Cristian V. Diaconu" <cvdiaconu++lanl.gov>
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Date: Mon, 22 Oct 2007 13:16:08 -0600
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Sent to CCL by: "Cristian V. Diaconu" [cvdiaconu,+,lanl.gov]
MDV1 = 6291106 says gaussian has 6MW (48MB) of memory available, but 
it needs MinMem= 105955841 = 101.05 MW (808.38MB)
put the line:
%mem=1024MB
before the route section (hopefully the machine you are running on has 
that much memory).

I hope this helps--Chris

Roman D. Gorbunov rgorbuno|,|aecom.yu.edu wrote:
> Sent to CCL by: "Roman D. Gorbunov" [rgorbuno^^^aecom.yu.edu]
> Dear all,
> 
> my calculations dies with the following message:
> 
> Symmetrizing basis deriv contribution to polar:
> IMax=3 JMax=2 DiffMx= 0.00D+00
> Unable to allocate space to process matrices in G2DrvN:
> NAtomX=  58 NBasis= 762 NBas6D= 762 MDV1=   6291106 MinMem= 105955841.
> 
> Does anybody know what happens and if this problem can be solved by with the usage of some keywords?
> 
> Thank you in advance,
> Roman> 
> 
> 
> 

-- 
Cristian V. Diaconu
Postdoctoral Research Associate
Los Alamos National Laboratory
Theoretical Division
Theoretical Chemistry & Molecular Physics Group (T-12)