CCL: IQmol (Win 7) crashes opening a QChem 4.0 output.out file
- From: John Keller <jwkeller a alaska.edu>
- Subject: CCL: IQmol (Win 7) crashes opening a QChem 4.0 output.out
file
- Date: Mon, 27 Aug 2012 09:04:29 -0800
Sent to CCL by: John Keller [jwkeller|,|alaska.edu]
Hi - (I'll answer my own question...) Andrew Gilbert the IQmol
developer says this is bug for some Win7 users, which has to do with
Win7 not properly loading the Babel plugin. Anyway, the workaround is
to first draw a small molecule like ethylene, Select Force Field, and
Minimize Structure. This forces loading of the Babel plugin. Then try
to open the output.out file. I works for my Win7 systems.
John Keller
On Fri, Aug 24, 2012 at 8:11 PM, John Keller jwkeller]_[alaska.edu
<owner-chemistry=ccl.net> wrote:
>
> Sent to CCL by: "John Keller" [jwkeller..alaska.edu]
> My IQmol 2.0.1 application for Win 7 can open Q-Chem 4.0 Test.Fchk files
and display MO surfaces, etc., however it crashes whenever I try to open an
output.out file from any type of Q-Chem opt, freq, or SP job. These jobs run
successfully according to the output.out text, and they are processed correctly
by WebMO, so why can't IQmol handle them? Has anyone else had this problem, or
know a work-around?
> (I posted this question at www.iqmol.org too, but have not heard back yet.)
> John Keller
> jwkeller_-_alaska.edu
> Dept of Chemistry & Biochemistry
> University of Alaska Fairbanks>
>