Thread: [Gausssum-help] Error parsing G09 log files
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From: Madison H. <her...@sa...> - 2017-06-28 20:00:46
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Dear Dr. O’Boyle, I am attempting to use GaussSum 3.0.1 to perform DOS analyses on a series of compounds. The method I used, as per your instructions in the documentation, was rb3lyp/6-311g+(d,p) pop=full iop(3/33=1,3/36=-1). When trying to open the file, I get an error saying “cclib has problems parsing [insert file name here].log”. If it helps, I am running this software on MacOS X El Capitan. I was able to install it correctly and there are some files I am able to open, but I can’t open any of the files important to me at this time. I know that you request the output files to be zipped, but my institution/email server will not let me send compressed attachments. May I send them to you as text files? Best, Madison R. Herling her...@sa... <mailto:her...@sa...> 2nd Year PhD Student Kozlowski Research Group Department of Chemistry School of Arts and Sciences University of Pennsylvania |
From: Noel O'B. <bao...@gm...> - 2017-06-29 15:07:38
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Hi Madison, If you don't zip them, then it uses up my web mail allowance and these files are sometimes pretty big but zip really well. Try one of the following please: 1. zipping and renaming to .txt before attaching. 2. Create a gmail account and then attach as .zip. 3. Use a different zip program, e.g. 7zip to create .7z, .gz, bz2 or whatever type of zipped file. 4. Place the file on a public webserver, even one of those super dodgy ones, and send me the link. Separately, please note that I only fix bugs for public domain log files. Please let me know if you are happy to place the file in the public domain. Regards, - Noel On 28 June 2017 at 21:00, Madison Herling <her...@sa...> wrote: > Dear Dr. O’Boyle, > > I am attempting to use GaussSum 3.0.1 to perform DOS analyses on a series of > compounds. The method I used, as per your instructions in the > documentation, was rb3lyp/6-311g+(d,p) pop=full iop(3/33=1,3/36=-1). When > trying to open the file, I get an error saying “cclib has problems parsing > [insert file name here].log”. If it helps, I am running this software on > MacOS X El Capitan. I was able to install it correctly and there are some > files I am able to open, but I can’t open any of the files important to me > at this time. I know that you request the output files to be zipped, but my > institution/email server will not let me send compressed attachments. May I > send them to you as text files? > > Best, > > Madison R. Herling > her...@sa... > > 2nd Year PhD Student > Kozlowski Research Group > Department of Chemistry > School of Arts and Sciences > University of Pennsylvania > > > > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > Gausssum-help mailing list > Gau...@li... > https://lists.sourceforge.net/lists/listinfo/gausssum-help > |