[QE-developers] Bug in Modules/read_pseudo.f90 (Quantum ESPRESSO v.6.8)

[Lothar Brendel]

Dear espressoers,

I'm pretty sure to have found an inconsistency regarding the treatment 
of the case of zero wavefunctions in a PP file (nwfc = 0):

In upflib/read_upf_v1.f90:subroutine read_pseudo_pswfc(), the allocation 
of the chi array is protected against the zero case:

ALLOCATE( upf%chi( upf%mesh, MAX( upf%nwfc, 1 ) ) )

But for the MPI slave ranks in Modules/read_pseudo.f90:SUBROUTINE 
upf_bcast(), it is *not*:

ALLOCATE( upf%chi(upf%mesh,upf%nwfc) )


Hence, when subsequently broadcasting the array, the slave ranks are 
receiving the data into a zero sized array.


Kind regards
         Lothar Brendel