From owner-chemistry@ccl.net Fri Nov 12 14:25:00 2010
From: "Jamin Krinsky jamink-$-berkeley.edu" <owner-chemistry++server.ccl.net>
To: CCL
Subject: CCL:G: Reading fchk files in gv 3.0
Message-Id: <-43155-101112142149-20266-z5416we8AKZrGd2PVZhJXA++server.ccl.net>
X-Original-From: Jamin Krinsky <jamink{:}berkeley.edu>
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Date: Fri, 12 Nov 2010 11:21:38 -0800
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Sent to CCL by: Jamin Krinsky [jamink#%#berkeley.edu]
David is correct, in general you need to run formchk on the system
that created the .chk file. If that system has G03 and G09, be sure
you are using the formchk utility for G09 by specifying the full path
to the executable, for example "/software/gaussian/g09/formchk
yourfilename" if the G09 installation were located in
/software/gaussian. You can then read the .fchk file directly into
GaussView on your Ubuntu machine, but keep in mind that certain output
generated by G09 will not be compatible with GaussView3.

Regards,
Jamin

On Thu, Nov 11, 2010 at 5:37 PM, Close, David M. CLOSED a
mail.etsu.edu <owner-chemistry#ccl.net> wrote:
>
> Sent to CCL by: "Close, David M." [CLOSED]=[mail.etsu.edu]
> Jacqueline:
>  This topic was discussed on the CCL just 1-2 months ago.  I seem to recall that there were several solutions offered.  One solution was to generate the .fchk file in the actual calculation by adding the keyword formcheck on the command line.  Also someone mentioned that G03 may not be able to convert a check file generated by G09.  So you could do a quick check at try to generate the 'fchk file on the remote computer, and then see if you can read it locally.
>  Regards, Dave Close.
>
> -----Original Message-----
>> From: owner-chemistry+closed==etsu.edu\a/ccl.net [mailto:owner-chemistry+closed==etsu.edu\a/ccl.net] On Behalf Of jacqueline cawthray jcawth01:+:gmail.com
> Sent: Thursday, November 11, 2010 8:08 PM
> To: Close, David M.
> Subject: CCL:G: Reading fchk files in gv 3.0
>
>
> Sent to CCL by: "jacqueline  cawthray" [jcawth01##gmail.com]
> Hi
>
> I have g09 optimization jobs run on a remote computer and want to view the results (particularly surfaces) using Gaussview 3.0 on Ubuntu on a local computer. I have tried reading the file.chk directly but get the error "can't find the formchk utility". It is there but I'm not sure how to go about this.
>
> I have also tried converting the file.chk to file.fchk using either g09 or g03. Using g03 generates an error writing the fchk file and using g09, gview won't open it.
>
> Thanks for your time.
>
> Regards
>
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