PC GAMESS/Firefly-related discussion club

Fatal error no. 0x00020070 in sub PACKWRIT on unit 8

Sibo
siboster@gmail.com

Hi, I am new in Firefly--all I've successfully run is an optimization of 1-methylcyclohexene. Now I'm being a bit more ambitious and would like to optimize the structure of a poly-aromatic ligand with some copper ions. However, after determining the symmetries for the initial guess orbitals, my calculation crapped out. Can anyone tell me what this error means and how to fix it?

Here's my input:
$contrl scftyp=rhf dfttyp=b3lyp5 runtyp=optimize nprint=-5 $end
$system mwords=64 timlim=600 $end
$basis gbasis=TZV ndfunc=1 npfunc=1 $end
$statpt nstep=50 $end
[data, atomic coordinates]

And here's the end of my output (� corresponds to whitespace--I'm not sure why when I copy and paste I get this odd symbol...):
SYMMETRIES FOR INITIAL GUESS ORBITALS FOLLOW. � BOTH SET(S).
� 203 ORBITALS ARE OCCUPIED ( � 75 CORE ORBITALS).
� �76=A � � � 77=A � � � 78=A � � � 79=A � � � 80=A � � � 81=A � � � 82=A �
� �83=A � � � 84=A � � � 85=A � � � 86=A � � � 87=A � � � 88=A � � � 89=A �
� �90=A � � � 91=A � � � 92=A � � � 93=A � � � 94=A � � � 95=A � � � 96=A �
� �97=A � � � 98=A � � � 99=A � � �100=A � � �101=A � � �102=A � � �103=A �
� 104=A � � �105=A � � �106=A � � �107=A � � �108=A � � �109=A � � �110=A �
� 111=A � � �112=A � � �113=A � � �114=A � � �115=A � � �116=A � � �117=A �
� 118=A � � �119=A � � �120=A � � �121=A � � �122=A � � �123=A � � �124=A �
� 125=A � � �126=A � � �127=A � � �128=A � � �129=A � � �130=A � � �131=A �
� 132=A � � �133=A � � �134=A � � �135=A � � �136=A � � �137=A � � �138=A �
� 139=A � � �140=A � � �141=A � � �142=A � � �143=A � � �144=A � � �145=A �
� 146=A � � �147=A � � �148=A � � �149=A � � �150=A � � �151=A � � �152=A �
� 153=A � � �154=A � � �155=A � � �156=A � � �157=A � � �158=A � � �159=A �
� 160=A � � �161=A � � �162=A � � �163=A � � �164=A � � �165=A � � �166=A �
� 167=A � � �168=A � � �169=A � � �170=A � � �171=A � � �172=A � � �173=A �
� 174=A � � �175=A � � �176=A � � �177=A � � �178=A � � �179=A � � �180=A �
� 181=A � � �182=A � � �183=A � � �184=A � � �185=A � � �186=A � � �187=A �
� 188=A � � �189=A � � �190=A � � �191=A � � �192=A � � �193=A � � �194=A �
� 195=A � � �196=A � � �197=A � � �198=A � � �199=A � � �200=A � � �201=A �
� 202=A � � �203=A � � �204=A � � �205=A � � �206=A � � �207=A � � �208=A �
� 209=A � � �210=A � � �211=A � � �212=A � � �213=A �
...... END OF INITIAL ORBITAL SELECTION ......

CPU � � � �TIME: � STEP = � � 20.95 , �TOTAL = � � � 28.1 SECONDS ( � �0.5 MIN)
WALL CLOCK TIME: � STEP = � � 30.19 , �TOTAL = � � � 38.8 SECONDS ( � �0.6 MIN)
CPU UTILIZATION: � STEP = � � 69.40%, �TOTAL = � � �72.42%
FSF: fatal error no. 0x00020070 in sub PACKWRIT on unit � 8

CPU � � � �TIME: � STEP = � 5799.57 , �TOTAL = � � 5827.7 SECONDS ( � 97.1 MIN)
WALL CLOCK TIME: � STEP = � 7388.83 , �TOTAL = � � 7427.6 SECONDS ( �123.8 MIN)
CPU UTILIZATION: � STEP = � � 78.49%, �TOTAL = � � �78.46%

� �13378439 WORDS OF � �DYNAMIC MEMORY USED
EXECUTION OF PC GAMESS TERMINATED ABNORMALLY AT �1:14:51 LT �28-OCT-2008

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