[Wien] mixer erro (segmentation fault and ispin)

[Ilya Elfimov]

Try to compile  with -pc80 option in ifc8.1. This should make 7.1 and 8.1
compatible.
Ilya 
 
-------Original Message-------
 
From: wien at zeus.theochem.tuwien.ac.at
Date: 10/08/04 09:21:17
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] mixer erro (segmentation fault and ispin)
 
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
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