Gordon
gordon.driver@abo.fi
Yes, I have done as you suggested (from my first use of FiCo). FF.exe selected. LIBDIR (on root) selected. 2 CPUs selected, and AUTO selected (as working dir). I select input file, and press run (both with and without ext-basis set called using -b command) and I receive the error. Alex made a comment now to use -o name_of_output_file, this makes the error message disappear! However, now in the active job view I get a blinking cursor, and FF is actually not running. With or without the -o command, I did see a (albeit blank = 0 kb) output file written to the same directory that contains the input file.
I think I have all this set up correctly. I have also tried to run FF from my desktop, where I place the entire folder "FIREFLY" and run from there, but still no dice. I am also running FiCo from the desktop, and, I have moved my folder containing my input to the desktop, but again, no luck.
I will keep reading and trying! Thanks for all the help!
Kind regards,
Gordon
On Sat Mar 13 '10 8:12pm, Pasquale Morvillo wrote
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>On Fri Mar 12 '10 12:02pm, Gordon wrote
>---------------------------------------
>>Hello Thomas,
>>Thank you for the nice advice. I have been attempting to run FF from FiCo, using an external basis set (as per Pavel's instructions), but seem to come up with a variety of errors, depending on what I have tried.
>
>
>Dear Gordon,
>check your FiCo settings. Open the settings dialog box and check:
>1. that you have selected a valid Firefly executable.
>2. that you have loaded the external basis set in the "External basis set library file" edit box.
>3. that you have a valid directory in the working directories; if you choose the List, then add a directory for each CPU cores used, i.e. if you select 2 CPU cores, you need to enter 2 dir. Otherwise select autocreate.
>4. as first try, leave blank the "additional command line option" edit box.
>To run a job, add an input file in the input file queues (main screen) and press "Run".
>Using the above procedure, I am able to use FF with FiCo with an external basis set.
>Good luck and let me know.
>regards