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Re^3: Wrong CRC in ff8_rc38_linux.rar

Alex Granovsky
gran@classic.chem.msu.su


Hi,

could you please attach the input and output files?

As to overheating, I'd suggest you to try to disable TurboCore.

Kind regards,
Alex Granovsky




On Wed Jan 16 '13 10:10pm, Daniil Bratashov wrote
-------------------------------------------------
>On Wed Jan 16 '13 2:58am, Alex Granovsky wrote
>----------------------------------------------
>>Hi,

>>Sorry it was a hardware failure. It is fixed now.

>OK, it's working but I've got a problem:
>===
>***** FAILURE TO LOCATE STATIONARY POINT, SCF HAS NOT CONVERGED
>UPDATED HESSIAN, GEOMETRY, AND VECTORS WILL BE PUNCHED FOR RESTART

>ADDRESS 0xF1A58E5C HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)
>===
>Should I send some additional info about it? It is the same geometry as I've sent last time (with longer computational times/llano overheating issue).


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