Crash loading GAMESS log files

Hello,

Was hoping to get some help from someone – I’m running a geometry
optimization on ammonia at RHF level using GAMESS, and when I go to
load the log file, Avogadro crashes with the following report:

Problem signature:
Problem Event Name: BEX
Application Name: avogadro.exe
Application Version: 0.0.0.0
Application Timestamp: 50450db5
Fault Module Name: MSVCR90.dll
Fault Module Version: 9.0.30729.6161
Fault Module Timestamp: 4dace5b9
Exception Offset: 0006ccd5
Exception Code: c0000417
Exception Data: 00000000
OS Version: 6.1.7601.2.1.0.768.3
Locale ID: 1033
Additional Information 1: 05ca
Additional Information 2: 05ca81ad486f92904cbfa8d569982719
Additional Information 3: dcc8
Additional Information 4: dcc8d3719fc561987a655fb4871d918b

This is avogadro win32 version 1.1.0, using a GAMESS log file from
version 11-64. I’m attaching the ammonia log file if that helps.
Thanks, you guys have a great piece of software, hope I can help with
some of the bug issues I’ve encountered now and in the past.

Blake


Assistant Professor
C. Eugene Bennett Department of Chemistry
(304) 293-9166
http://community.wvu.edu/~jbm085/

“Life is not easy for any of us. But what of that? We must have
perseverance and above all confidence in ourselves. We must believe
that we are gifted for something and that this thing must be
attained.” Marie Curie

“Start by doing what’s necessary; then do what’s possible; and
suddenly you are doing the impossible.” St. Francis of Assissi

Hi Blake,

I tried using the 1.1.0 version on the sourceforge site, and also saw the
crash with this log file. I built a new version from the 1.1.0 git tag
against an up-to-date openbabel, and the new version works. I’ve uploaded
an installer here:

http://xtalopt.openmolecules.net/misc/Avogadro-1.1.0-win32-no-python-inchi-or-ffs.exe

As you may have guessed from the filename, this build doesn’t have python,
inchi, or forcefield support, but it should open your log file.

Dave

On Fri, Feb 8, 2013 at 5:02 PM, Blake Mertz blake.mertz@mail.wvu.eduwrote:

Hello,

Was hoping to get some help from someone – I’m running a geometry
optimization on ammonia at RHF level using GAMESS, and when I go to
load the log file, Avogadro crashes with the following report:

Problem signature:
Problem Event Name: BEX
Application Name: avogadro.exe
Application Version: 0.0.0.0
Application Timestamp: 50450db5
Fault Module Name: MSVCR90.dll
Fault Module Version: 9.0.30729.6161
Fault Module Timestamp: 4dace5b9
Exception Offset: 0006ccd5
Exception Code: c0000417
Exception Data: 00000000
OS Version: 6.1.7601.2.1.0.768.3
Locale ID: 1033
Additional Information 1: 05ca
Additional Information 2: 05ca81ad486f92904cbfa8d569982719
Additional Information 3: dcc8
Additional Information 4: dcc8d3719fc561987a655fb4871d918b

This is avogadro win32 version 1.1.0, using a GAMESS log file from
version 11-64. I’m attaching the ammonia log file if that helps.
Thanks, you guys have a great piece of software, hope I can help with
some of the bug issues I’ve encountered now and in the past.

Blake


Assistant Professor
C. Eugene Bennett Department of Chemistry
(304) 293-9166
http://community.wvu.edu/~jbm085/

“Life is not easy for any of us. But what of that? We must have
perseverance and above all confidence in ourselves. We must believe
that we are gifted for something and that this thing must be
attained.” Marie Curie

“Start by doing what’s necessary; then do what’s possible; and
suddenly you are doing the impossible.” St. Francis of Assissi


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