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Re: Batmaker for firefly

Alex Granovsky
gran@classic.chem.msu.su


Hello,

If you experience problems with Batmaker, you can run Firefly
directly from the Windows' command line window.


To run sample calculation, please follow these steps:
1. unzip the samples\SAMPLES.ZIP file.
2. copy the desired input file into file with name "input"
3. run Firefly810.exe in the same directory where the "input" resides.
4. You will get the output on your screen. To get it redirected to ile use:

firefly810.exe -o output

or

firefly810.exe >output

5. After calculation, erase all temporary files produced by firefly,
especially punch, dictnry, and ircdata (if any).

Note:

Firefly is the Windows console-based application, thus you need to run
it from the command prompt. Second, you need to have input file called
"input" in the folder you are going to use to run Firefly (the Firefly
itself can be installed in any directory, simply add the path to the
Firefly to your PATH).

Next, any other files, including punch, dictnry, etc..., from the
previous Firefly run should be usually erased before running
Firefly again, the exceptions are various restart runs.

You can find more information on Firefly here:

http://classic.chem.msu.su/gran/gamess/index.html (main page)
http://classic.chem.msu.su/gran/gamess/intro.html (introduction)
http://classic.chem.msu.su/gran/gamess/faq.html (FAQ)
http://classic.chem.msu.su/gran/gamess/manuals.html (documentation)

Best regards,
Alex Granovsky



On Mon May 18 '15 11:34am, Mridula Guin wrote
---------------------------------------------
>Hi,
>I am a first time user of firefly windows version...i am using batmaker to make the batch files..In the batmaker there is no option to run the job....But I don't know how an output file is created....Can anybody help me to find the answer? Does this run automatically?

>My second question is how to check the output file while the job is running? (P.S Input files are created by macmolplt)
>Thank you in in advance,

>Mridula
>


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