Alexandra Tsybizova
alexandra.tsybizova@org.chem.ethz.ch
Best regards,
Alexandra
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,
>>>Alex