Re: [SIESTA-L] Segmentation fault in Broyden mixing

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

[SIESTA-L] Segmentation fault in Broyden mixing

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

Re: [SIESTA-L] Segmentation fault in Broyden mixing

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 it came

Re: [SIESTA-L] Segmentation fault in Broyden mixing

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