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Re^2: Errors running Firefly

Alex Granovsky
gran@classic.chem.msu.su


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


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