Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Alex Granovsky
gran@classic.chem.msu.su

Thank you for your bug report.

Could you please send me sample input files?
There is no need to send them to the list.

In addition, could you please confirm that problem persists
using the latest RC?

Kind regards,
Alex


On Mon Mar 25 '13 1:42pm, Vyacheslav wrote
------------------------------------------
>Hi,
>I forgot to write about bug related with FF vers. 8.0.0, build number 6695 under OS Windows Server 2012 Standard  SP1 (with MS MPI). It should have been done a year ago :). Nevertheless, I hope my message will be useful.
>The problem is that this version breaks record of data at the end of output file after the completion of the hessian calculation (I usually use 24 cores). There is a bug in the calculation of relatively large systems. Calculations of small systems are completed properly.
>This only applies to version mentioned above, which I tested. Version 7.1.H (build number 5821) works fine under this OS on the same computer (this version don't use MS MPI and works up to 20 cores only).
>Some examples of final parts of outputs are in applied file (frequency block and the next blocks of data are not recorded).

>Is this bug fixed or it is detected just under my operation system only?

>     Vyacheslav
>