I'm running 2.0.2-rc9 on an Intel machine, the flags for ifort are -O3 -ip
-tpp7 -xT -axT. No segmentation faults in either Broyden mixing or
relaxation. Although I have to admit that the k-point parallelization isn't
working, only parallelization over orbitals :)
2008/3/27, Marcos Verissimo Alves
Hi Vasilii,
Broyden mixing or Broyden relaxation (or both)? I had problems using the
Broyden mixing scheme, and actually, I still am, even after this "fix"...
Can you pass your compilation options as they are set in the arch.make?
Which compiler are you using?
Marcos
Vous avez écrit / You have
Strange, I'm using Broyden all the time and never had any segmentation
faults there...
2008/3/27, Marcos Verissimo Alves <[EMAIL PROTECTED]>:
>
> Hi all,
>
> I was trying to use the Broyden mixing scheme in siesta, in both versions
> 2.0 and 2.0.2-rc9, and I was getting a segmentation fault when i
Hi all,
I was trying to use the Broyden mixing scheme in siesta, in both versions
2.0 and 2.0.2-rc9, and I was getting a segmentation fault when it came to
cycling the broyden history. Looking at the code, I saw that in the file
m_broyddj.f90, the following lines (86-93) were commented:
if (asso
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