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: http://classic.chem.msu.su/gran/gamess/introlinux.html
Дата изменения: Thu Sep 5 16:30:22 2013 Дата индексирования: Thu Feb 27 20:21:36 2014 Кодировка: |
First, unpack the inner rar archive using installation password, and then allow execution of the Firefly binaries:
You should have a file named "input" in the current directory containing the input information for the Firefly.
By default, Firefly will write the output to the stdout device, hence you should use an
All the temporary files will be created in the current directory, so if you want to run several Firefly jobs simultaneously, you should run them in different directories. Insofar as the PUNCH file is always created with the 'NEW' status, there should not be any previous PUNCH file in the Firefly working directory. In general, it is recommended to delete all the other temporary Firefly files (such as DICTNRY, etc...), before starting next Firefly job, unless you want to use some restart options.
Probably, you will write some script to delete these files, create input, and run Firefly with
Please consult as well with the list of the available Firefly command line options.