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Re: Errors in calculating large molecules

Alex Granovsky
gran@classic.chem.msu.su


Hello,

FSF error no. 0x00020027 means that Firefly cannot write to a file
because there is no more free disk space, disk quota is exceeded,
or there are some problems with permissions.

Hope this helps.

Kind regards,
Alex Granovsky




On Tue Sep 12 '17 2:43pm, Andrey Degtyarev wrote
------------------------------------------------
>Hi all,
>There was a problem in calculating molecular clusters over ~100 atoms.

>Firefly 8.2.0, IntelMPI

>Text of error:
>          ********************
>          1 ELECTRON INTEGRALS
>          ********************
> FSF: fatal error no. 0x00020027 in sub WRITEREC on unit  10

> ADDRESS 0x094DBF37 HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

>In this case, a cluster of 87 atoms is calculated normally, out of 135 this error is output.


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