Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Re^2: Error: ILLEGAL GENERAL BASIS FUNCTION REQUESTED

Siddheshwar Chopra
sidhusai@gmail.com


On Tue Jan 15 '13 7:06pm, Solntsev Pasha wrote
----------------------------------------------
>Dear Diver.

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 YOU ARE USING OUTDATED VERSION OF THE FIREFLY!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
>>


[ Previous ] [ Next ] [ Index ]           Tue Jan 15 '13 7:32pm
[ Reply ] [ Edit ] [ Delete ]           This message read 822 times