Firefly and PC GAMESS-related discussion club

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

Re^3: Errors running Firefly

Alexandra Tsybizova

Dear Dr. Granovsky,
thank you very much for the suggestions, I will use them for my calculations from now on.

Best regards,

On Tue Mar 28 '17 3:26pm, Alex Granovsky wrote
>Dear Alexandra,

>for medium and large systems, it is usually much better to use
>direct SCF and integral-direct integral transformation thus avoiding
>storage bottlenecks.

>Use $scf dirscf=.t. $end and $trans dirtrf=.t. $end

>On a separate note, it is very bad idea to disable FSF.
>Leave FASTF option at its default value (the default is .true.)

>Hope this helps.

>Kind regards,
>Alex Granovsky
>On Tue Mar 28 '17 1:02pm, Alexandra Tsybizova wrote
>>I checked the input file for possible errors with exetyp=check in the $contrl group and found a mistake. The problem seems to be gone now, at least the calculation is running.
>>On Thu Mar 23 '17 12:58pm, Alexandra Tsybizova wrote
>>>Dear Firefly community,
>>>I am new to Firefly and I am experiencing problems I cannot solve.

>>>I am running Firefly on a Linux cluster, single node, 12 processors, and while switching to big systems I get an error:
>>>FSF: fatal error no. 0x00020027 in sub PACKWRIT on unit 8
>>>After searching the forum I learned that this means I ran out of disc space.

>>>I have tried to disable FSF support by setting the FASTF option to .False. in the $SYSTEM group. However after that I get the following error:
>>>*ERR* IO-09 system file error - unknown error

>>>Is there a solution to this problem?

>>>Thanks in advance,

[ Previous ] [ Next ] [ Index ]           Wed Mar 29 '17 12:17pm
[ Reply ] [ Edit ] [ Delete ]           This message read 517 times