| Detail | [...] end tie ends scoring::do_add_score_and_derivatives
end tie ends scoring::evaluate
end tie ends::evaluate
trying again to find particles to move 317.725
end IncrementalBallMover0::do_propose
end IncrementalBallMover0::propose
begin RestraintsScoringFunction0::evaluate:
begin RestraintsScoringFunction0::do_add_score_and_derivatives:
begin tie ends::add_score_and_derivatives:
begin tie ends::do_add_score_and_derivatives:
Adding 39.281 from restraint tie ends
end tie ends::do_add_score_and_derivatives
end tie ends::add_score_and_derivatives
end RestraintsScoringFunction0::do_add_score_and_derivatives
end RestraintsScoringFunction0::evaluate
MC Performing local optimization from 338.532
end MonteCarlo0::do_optimize
end MonteCarlo0::optimize
end MCCG Sampler 0::do_sample
end MCCG Sampler 0::create_sample
Traceback (most recent call last):
File "/tmp/nightly-build-1/imp-20240522.develop.48ec051260/modules/kernel/examples/chain.py", line 64, in <module>
confs = s.create_sample()
File "/tmp/nightly-build-1/build/lib/IMP/__init__.py", line 6845, in create_sample
return _IMP_kernel.Sampler_create_sample(self)
_IMP_kernel.InternalException: Internal check failure: Pair "7" and "3" not found in close pairs list at distance -0.0874842
File "/tmp/nightly-build-1/imp-20240522.develop.48ec051260/modules/container/src/internal/ClosePairContainer.cpp", line 152
Context: MCCG Sampler 0::create_sample/MCCG Sampler 0::do_sample/MonteCarlo0::optimize/MonteCarlo0::do_optimize/ConjugateGradients0::optimize/ConjugateGradients0::do_optimize/RestraintsScoringFunction0::evaluate/RestraintsScoringFunction0::do_add_score_and_derivatives/Model 0::before_evaluate/update_score_states/ClosePairContainer0State::before_evaluate/ClosePairContainer0::do_score_state_before_evaluate
begin Model 0::do_destroy:
Destroying model
end Model 0::do_destroy
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