[Wannier] [Sang] multiple calls of wannier_setup and wannier_run

[Jonathan Yates]

On 7 Oct 2014, at 18:31, Sangkook Choi <sangkookchoi at gmail.com> wrote:

> Hi guys,
> 
> Recently, I have implemented a interface between wannier90(in library mode) and our in-house dft code. I'm getting the following error for the case of spin polarized calculation.
> 
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        Source
> rspflapw_debug.ex  0000000002DF4859  Unknown               Unknown  Unknown
> rspflapw_debug.ex  0000000002DF312E  Unknown               Unknown  Unknown
> rspflapw_debug.ex  0000000002D971A2  Unknown               Unknown  Unknown
> rspflapw_debug.ex  0000000002D4B493  Unknown               Unknown  Unknown
> rspflapw_debug.ex  0000000002D5158B  Unknown               Unknown  Unknown
> libpthread.so.0    00002B237C72F130  Unknown               Unknown  Unknown
> rspflapw_debug.ex  00000000019138B2  w90_plot_mp_plot_         223  plot.F90
> rspflapw_debug.ex  0000000001900EBE  w90_plot_mp_plot_          64  plot.F90

Sang,

 I think I know what the problem is - we’ll continue the discussion off-list - as I’ll need you to try out a few different calculations.

Jonathan



-- 
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
tel: +44 (0)1865 612797                http://users.ox.ac.uk/~oums0549/