Hi,
How is
checkpoint file defined? As a full path, or just as a file? Try defining it just
as a file, not as a full path. Maybe it will help.
Best regards
Davor Sakic
Research
Assistant
Faculty of Pharmacy and Biochemistry, Univ. of Zagreb,
Croatia
On 8. sij. 2011., at 00:17,
Jacqueline Cawthray jcawth01**
gmail.com wrote:
Dr. Dipankar Roy,
Thanks so much
for your suggestion. However I still encounter the same problem with the job
terminating due to "non-existent file". Perhaps I am missing something
else?
Thanks
JC
On Fri, Jan
7, 2011 at 12:43 PM, dipankar roy theodip a
gmail.com <owner-chemistry]*[ccl.net> wrote:
Sent to CCL by: dipankar roy [theodip : gmail.com]
Hi,
Use 'OPT=restart' only without 'geom=checkpoint'
Please see http://www.gaussian.com/g_tech/g_ur/k_opt.htm for more
information.
Hope this helps.
Dipankar Roy
--
-----------------------------------
Dr. Dipankar Roy
Research Associate
Hunter College (CUNY)
695 Park Avenue
New York, USA
NY-10065
-----------------------------------
On Fri, Jan 7, 2011 at 2:41 PM, jacqueline cawthray
jcawth01===gmail.com <owner-chemistry-.-ccl.net> wrote:
>
> Sent to CCL by: "jacqueline cawthray" [jcawth01,+,gmail.com]
> Hi,
>
> I wish to know if it is possible to restart an ONIOM opt job in g09
that
> terminated due to exceeded wall time. I have tried:
>
> # opt=restart geom=check guess=read
>
> and
>
> # opt=restart oniom(hf/3-21+g*:amber) geom=checkpoint
>
> but it terminates with :
>
>
> 1/14=-1,18=1000020,19=15,52=2,64=3,115=4/3(-16);
> 2/9=110/2;
> 99//99;
>
>
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
> Berny optimization.
> Restoring state from the checkpoint file
"P1-BX1-Omopt-restart.chk".
> FileIO operation on non-existent file.
>
> even though the chk point file is present.
>
> I would be grateful for any suggestions.
>
> Best regards
> JC> http://www.ccl.net/cgi-bin/ccl/send_ccl_message>
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