Sent to CCL by: "Emmanuel N. Koukaras" [koukaras/./physics.upatras.gr]
Hello,
you mentioned that you are working with the Windows version of
Gaussian 09. The Windows version is a 32bit application. Regardless
if you are running it in a 64bit Windows machine the maximum memory
that it can theoretically allocate is 2 GB. See for instance: http://www.gaussian.com/g_prod/g09w.htm
Practically, I would suggest you use something like:
%mem=1350MB
Hope this helps.
Best wishes to all for the new year,
Emmanuel
On 31/12/2010 11:27 μμ, Shirin Seifert shirin.seifert|gmail.com
wrote:
Thanks,
here is the complete error message:
Out-of-memory error in routine OMatEl (IEnd=
33553462
MxCore= 33553432)
Use %mem=33MW to provide the minimum
amount of memory required to complete this step.
The problem is that although I have installed 6GB RAM on my system
I can not set more than about 2GB RAM using %Mem or setting it in
Default.ROU file using -M-
When I set more than about 2GB memory, the G09 program terminates
without any error message in the output file. But the message
"Severe Error message #2061 can't lock memory block for additional
job list.
I checked the available memory in task manager. More than 5GB
memory was available.
Thanks for your help.
Regards,
SS
On Fri, Dec 31, 2010 at 7:54 PM, Jean
Jules FIFEN julesfifen{:} gmail.com <owner-chemistry
a ccl.net> wrote:
Staying only in the portion of message error
you posted, I can say that, you have sufficient memory
installed to run this job. However, I am not sure that you
have sufficient available memory, since a part of the RAM
memory is used by others softwares running or installed in
your computer. As you use Windows OS, first try to check the
available memory.
The other thing you can do is to send to us the full
contains of the errors messages you obtained successively
with the first lines of the related inputs.
Best regards,
Thank you very much Dr. Jules,
When I start a CASSCF calculation using Gaussian 09 I
get the message :
use %mem=127MW ....
I have only 6GByte memory installed on my system. I
set %mem but still I get a similar error message with
different memory requirements .
Gausian 09 is on windows 2003 server (64bit)
Do you know how to solve this problem?
Best regards,
SS
%mem set in the input file
override the value set in the defaut.route
file and tell to the program that, the
maximum memory to be used to conduct the
related job is the specified value. Of
course, the value specified should be less
than the physical memory installed in the
computer. Program can also use scratch disk
when enough memory is not available,
depending on the key words specified in the
input file. For example (see the section
relevant to SCF in the gaussian manual),
SCF=Direct
Requests a direct SCF calculation, in
which the two-electron integrals are
recomputed as needed. This is the default
SCF procedure in Gaussian. This is
possible for all available methods, except
for MCSCF second derivatives and anything
using complex orbitals.
SCF=InCore
Insists that the SCF be performed storing
the full integral list in memory. This is
done automatically in a direct SCF
calculation if sufficient memory is
available. SCF=InCore
is available to force in-core storage or
abort the job if not enough is available.
NoInCore
prohibits the use of the in-core
procedure, for both the SCF and CPHF.
SCF=Conventional
The two-electron integrals are stored on
disk and read-in each SCF iteration. NoDirect is
a synonym for Conventional.
In gaussian 09, they are new algorithms
that make the software to provide
state-of-the-art performance in single
CPU, multiprocessor/multicore and
cluster/network computing environments.
So, in gaussian 09, you don't need a large
amount of RAM. In this latest version of
the software, you could need less than a
quater of the memory which was necessary
in the later version.
Best regards,
On 31 December
2010 12:28, Shirin Seifert
shirin.seifert[A] gmail.com <owner-chemistry!^!ccl.net>
wrote:
Dear CCL
members,
Should the memory amount set with
%mem be physically installed on the
system? or the program uses scratch
hard disk when enough memory is not
available?
Does gaussian 09 need a large amount
of RAM ?
Thank you for your help beforehand.
--
J. Jules.
--
J. Jules.
--
================================================================
Emmanuel N. Koukaras, Ph.D.
Postdoctoral Research Fellow,
Computational Condensed Matter Physics and Material Sciences,
Sector of Theoretical Physics,
Department of Physics, University of Patras
Tel: (+30) 2610 997729
www: http://moleng.physics.upatras.gr/personnel/ENKoukaras.html
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