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

Sangkook Choi sangkookchoi at gmail.com
Tue Oct 7 19:31:41 CEST 2014


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

I called wannier_setup() and wannier_run() separatly for each spin channel.
When I call wannier_run for the second spin component, I'm getting errors
above.

Regards,

Sang
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