CCL:G: ESP-derived-charge error messages
- From: "Close, David M."
<CLOSED]*[mail.etsu.edu>
- Subject: CCL:G: ESP-derived-charge error messages
- Date: Fri, 1 Aug 2008 10:23:54 -0400
Sent to CCL by: "Close, David M." [CLOSED]_[mail.etsu.edu]
Siamkhanthang:
The problem is that you have tried to write information to the disk, and
have exceeded the limitations in Gaussian. If you are using a 32 bit
machine, the program limits you to writing 16Gbytes of space on the hard
drive. MP2 uses a lot more disk space than B3LYP. The Gaussian manual
shows you how to save .rwf files in 2 GByte segments. Do what the
manual says, and then watch the rwf.a, rwf.b, files fill up. If you get
to the limit you will have to do the problem over on a 64 bit machine.
-----Original Message-----
> From: owner-chemistry#ccl.net [mailto:owner-chemistry#ccl.net]
Sent: Friday, August 01, 2008 9:23 AM
To: Close, David M.
Subject: CCL:G: ESP-derived-charge error messages
Sent to CCL by: "Siamkhanthang Neihsial" [sktn06*gmail.com]
Dear all,
I was trying to run an ESP-derived charge calculation in Gaussian 03
for my sytem at single point calculation at MP2/6-311++G(d,p) pop=mk
iop(6/33=2) iop(6/42=6)level on the optimized geometry calculated at the
level of B3LYP/6-31g(d,p). My system is a novel base-pair consisting of
85 atoms, including six N atoms, four P atoms,twenty three O atoms. The
sugar is a D-allopyranose .I got the following error messages--, "
Erroneous write: write -1 instead of 4096, fd=4, orig len=4096
left=4096, g-write, "
Can any one tell me the significance of this messages and how to solve
it ? . Ofcourse, when I used B3LYP/6-311++G(d,p) the job terminated
normally.
Thanks in advance,
Siamkhanthang Neihsial,
Deptt. of Chemistry,
NEHU, Shillong(India)
sktn06-x-gmail.com
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