[gpaw-users] casida_postprocess.py fails

[Jens Jørgen Mortensen]

On 11/01/2016 11:15 AM, Tuomas Rossi wrote:
> Hi Jens Jørgen,
>
> I have fixed the error in
> https://gitlab.com/gpaw/gpaw/merge_requests/121

Thanks a lot for your quick response!

Jens Jørgen

>
> 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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