From chemistry-request -8 at 8- ccl.net Wed Sep  8 08:45:08 2004
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Date: Wed, 8 Sep 2004 14:54:44 +0100
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From: "Noel O'Boyle" <noel.oboyle2..at..mail.dcu.ie>
Subject: Gaussian03W and WinXP
To: chemistry..at..ccl.net
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Hello CCLers,

Occasionally, I have had problems running Gaussian03W in WinXP. The problem
consists of a particular link just stopping. It doesn't die, though! The
tasklist shows a CPU usage of 0% for the link, and the memory usage doesn't
change.

For example, today I realised that a 9-day Raman frequency job has stopped
on day 8. The last link in the output file is:
"Leave Link 1110.exe at Tue ...etc." - so everything seems okay.
The job has stopped on Link 1002.exe, "iterating solving the CPHF equations".
The tasklist shows a CPU usage of 0% for the link, and a memory usage of
504MB.

The computer has 1GB of Raman, and the input file is:

%chk=thpztr.chk
%mem=800MB
%nproc=1
%rwf=gxx1.rwf,2000MB,gxx2.rwf,2000MB,gxx3.rwf,2000MB
#p freq=raman int=ultrafine rb3lyp/lanl2dz geom=allcheck guess=read

On previous occasions, for example where geometry optimisations have stopped,
I just continued them on, without any problems.

Does anybody know what is happening? or why it is happening?

Noel O'Boyle