[Wien] mixer erro (segmentation fault and ispin)

[L. D. Marks]

Check :PLA (not just :DIS, :ENE). This is not in the old mixer, only in
the new and should also be small for a properly converged analysis.

On Fri, 8 Oct 2004, Jack London wrote:

> Dear Fred
>
> Thanks
>
> I just finished ifc8.1 test. If that line in scfana.f
> is not canceled, "x mixer" couldn't work. After
> canceled that line, we also got different cycle (12)
> and total energy (-10094.096525 Ry). (On the old
> machine, compiler is ifc7.1, with and without that
> line, we got the same cycle (15) and total energy
> (-10094.096446 Ry))
>
>
> --- Fred Nastos <nastos at physics.utoronto.ca> wrote:
>
> >
> > Zhang, please try using Intel's Fortran compiler
> > version 8.1.  To corroborate
> > what others on the mailing list are saying, I find
> > it to be superior to 8.0
> > in many respects.
>
>
>
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-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
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