[Ifeffit] log1.dat & program break

Bruce Ravel bravel at anl.gov
Tue Aug 21 13:23:06 CDT 2007

On Tuesday 21 August 2007, s440697 at stud.uni-goettingen.de wrote:
> The second problem is a program break. I modified the entry nclusx=175 to
> nclusx=500 in the feff84.f to make a xanes-calculation with a 328-Atoms
> cluster (or maybe later more). The compilation (f77 -o feff84_500
> feff84_500.f) finished without messages and i started the calculation with
> feff84_500 but then the prompt answered with:
> $ feff84_500
> Killed
> $
> I did the same procedure with nclusx=400 and compiled it. With feff84_400
> the calculation works... Does anyone know if there is a problem with
> nclusx=500?

I don't know what the lines from the log file mean.  As to the program
crashing -- Josh addressed this in his email yesterday.



 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

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