[Wien] mixer erro (segmentation fault and ispin)

Jack London yshzhang88 at yahoo.com
Fri Oct 8 17:59:13 CEST 2004


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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