Siddheshwar Chopra
sidhusai@gmail.com
Dear Diver,
Could you provide the input file and your batch file so that we can help you well? As Pavel Sir said, you could have landed up in mismatched BASIS FUNCTION name and the external LIB file.
Regards,
S.Chopra
>I do believe you have wrong format of your external basis file. Check VERY carefully once again. And you don't need extra space after C1 point group.
>Pavel.
>
>
>On Tue Jan 15 '13 0:50am, Diver wrote
>-------------------------------------
>>INITIAL GUESS ORBITALS GENERATED BY HUCKEL ROUTINE.
>> LUCY: DO NOT WORRY, CHARLIE BROWN, WE LEARN MORE
>> FROM LOSING THAN WE DO FROM WINNING.
>> CHARLIE: THEN THAT MAKES ME THE SMARTEST PERSON IN
>> THE WORLD!
>> ILLEGAL GENERAL BASIS FUNCTION REQUESTED.
>> TIMING STATISTICS ON NODE 0:
>> CPU TIME: STEP = 0.00 , TOTAL = 0.2 SECONDS ( 0.0 MIN)
>> WALL CLOCK TIME: STEP = 0.00 , TOTAL = 0.2 SECONDS ( 0.0 MIN)
>> CPU UTILIZATION: STEP = 0.00° TOTAL = 115.62SCP> 353689 WORDS OF DYNAMIC MEMORY USED
>> WARNING! YOU ARE USING OUTDATED VERSION OF THE FIREFLY!
>> PLEASE CHECK FIREFLY HOMEPAGE FOR INFORMATION ON UPDATES!
>> EXECUTION OF FIREFLY TERMINATED ABNORMALLY AT 1:37:03 LT 15-JAN-2013
>>