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  1. Bug #1718162
  2. Comment #22

Comment 22 for bug 1718162

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Roberto Robles (roberto-robles) wrote :

It seems to work. I have tried a non-collinear and SOC calculation with k-points and they give the same result in serial and in parallel.

If you push it, an extra change has to be made in projected_DOS.F removing lines from 51 to 63 to allow for the calculation of PDOS in parallel.

As discussed before we should also add

state_analysis.o: state_analysis.F
        $(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<

to intel.make

Thanks!