CCL:G: Gaussian is unable to allocate space.
- From: "Cristian V. Diaconu"
<cvdiaconu++lanl.gov>
- Subject: CCL:G: Gaussian is unable to allocate space.
- Date: Mon, 22 Oct 2007 13:16:08 -0600
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)