[gpaw-users] casida_postprocess.py fails

[Tuomas Rossi]

Hi Jens Jørgen,

I have fixed the error in
https://gitlab.com/gpaw/gpaw/merge_requests/121

Best,
Tuomas


On 2016-10-31 11:38, Jens Jørgen Mortensen via gpaw-users wrote:
> Hi!
>
> I need some help fixing one of our tests: casida_postprocess.py. It
> fails like this:
>
> rank=7 L00: Traceback (most recent call last):
> rank=3 L00: Traceback (most recent call last):
> rank=3 L01:   File "casida_postprocess.py.py", line 3, in <module>
> rank=3 L02:     exec(compile(open('casida_postprocess.py').read(),
> 'casida_postproce
> ss.py', "exec"))
> rank=3 L03:   File "casida_postprocess.py", line 32, in <module>
> rank=3 L04:     ind.calculate_induced_field(gridrefinement=2,
> from_density='comp')
> rank=3 L05:   File
> "/home/niflheim/jensj/gpaw/gpaw/inducedfield/inducedfield_base.py
> ", line 184, in calculate_induced_field
> rank=3 L06:     gridrefinement)
> rank=3 L07:   File
> "/home/niflheim/jensj/gpaw/gpaw/inducedfield/inducedfield_lrtddft
> .py", line 147, in get_induced_density
> rank=3 L08:     nij_g = ks.with_compensation_charges(finegrid=yes_finegrid)
> rank=3 L09:   File "/home/niflheim/jensj/gpaw/gpaw/pair_density.py",
> line 164, in wi
> th_compensation_charges
> rank=3 L10:     self.density.ghat.add(rhot_g, Q_aL)
> rank=3 L11:   File "/home/niflheim/jensj/gpaw/gpaw/lfc.py", line 437, in
> add
> rank=3 L12:     requests.append(comm.receive(c_xi, sphere.rank, a, False))
> rank=3 L13: ValueError: Invalid processor number.
> rank=7 L01:   File "casida_postprocess.py.py", line 3, in <module>
> rank=7 L02:     exec(compile(open('casida_postprocess.py').read(),
> 'casida_postproce
> ss.py', "exec"))
> rank=7 L03:   File "casida_postprocess.py", line 32, in <module>
> rank=7 L04:     ind.calculate_induced_field(gridrefinement=2,
> from_density='comp')
> rank=7 L05:   File
> "/home/niflheim/jensj/gpaw/gpaw/inducedfield/inducedfield_base.py
> ", line 184, in calculate_induced_field
> rank=7 L06:     gridrefinement)
> rank=7 L07:   File
> "/home/niflheim/jensj/gpaw/gpaw/inducedfield/inducedfield_lrtddft
> .py", line 147, in get_induced_density
> rank=7 L08:     nij_g = ks.with_compensation_charges(finegrid=yes_finegrid)
> rank=7 L09:   File "/home/niflheim/jensj/gpaw/gpaw/pair_density.py",
> line 164, in wi
> th_compensation_charges
> rank=7 L10:     self.density.ghat.add(rhot_g, Q_aL)
> rank=7 L11:   File "/home/niflheim/jensj/gpaw/gpaw/lfc.py", line 437, in
> add
> rank=7 L12:     requests.append(comm.receive(c_xi, sphere.rank, a, False))
> rank=7 L13: ValueError: Invalid processor number.
>
> Jens Jørgen
>
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