That option is for siesta, not for Denchar. Could you build denchar with debug options: FFLAGS = -Og -g -pedantic -Wall -fcheck=all -fbacktrace -Warray-bounds -Wunused -Wuninitialized
then rerun denchar. Optionally, ensure that your stack size is unlimited: ulimit -s unlimited Den man. 14. dec. 2020 kl. 22.17 skrev El-abed Haidar < ehai2...@uni.sydney.edu.au>: > Good evening all, > > I have been using denchar for quite some time. It has been working until I > changed the WFS min and max energy. > > #DENCHAR > > *WFS.Energy.Min -5 eV* > > *WFS.Energy.Max -4 eV* > > > > Denchar.TypeOfRun 3D > > Denchar.PlotCharge true > > Denchar.PlotWaveFunctions true > > Denchar.CoorUnits Ang > > Denchar.NumberPointsX 100 > > Denchar.NumberPointsY 100 > > Denchar.NumberPointsZ 100 > > WriteDenchar true > > Denchar.MinX 0 Ang > > Denchar.MaxX 20 Ang > > Denchar.MinY 0 Ang > > Denchar.MaxY 10 Ang > > Denchar.MinZ 0 Ang > > Denchar.MaxZ 20 Ang > > COOP.Write true > > Denchar.PlotCharge > > > > > > As a result of this change I got the following error: > > forrtl: severe (174): SIGSEGV, segmentation fault occurred > > Image PC Routine Line Source > > denchar 0504053 Unknown Unknown Unknown > > libpthread-2.28.s 00001553B3CD4DD0 Unknown Unknown Unknown > > denchar 04B8595 Unknown Unknown Unknown > > denchar 04CE32B Unknown Unknown Unknown > > denchar 04030E2 Unknown Unknown Unknown > > libc-2.28.so 00001553B39236A3 __libc_start_main Unknown > Unknown > > denchar 0402FEE Unknown Unknown Unknown > > > > May I know why changing the energy range caused that problem? > > Thank you and looking forward to your thoughts. > > EL-abed > > El-abed Haidar | Doctor of Philosophy (Science) > Condensed Matter Theory (CMT) Group| School of Physics > THE UNIVERSITY OF SYDNEY | NSW | 2006 > > > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
