Hi everybody!
I wanted to start using the checkpointing function in Espresso 4.0 and followed closely the documentation.
I can checkpoint everything without an error, registering quantities with
checkpoint.register("system.non_bonded_inter")
checkpoint.register("system.bonded_inter")
checkpoint.register("system.thermostat")
checkpoint.register("system.part")
commands and saving everything in my integration loop with the checkpoint.save( ) command works fine.
But upon calling the checkpoint-file with checkpoint.load( ), I get the following error:
Traceback (most recent call last):
File "newcubes.py", line 135, in <module>
checkpoint.load()
File "/home/lv70488/a1306705/espresso-4-0/build/src/python/espressomd/checkpointing.py", line 232, in load
checkpoint_data = pickle.load(f)
File "particle_data.pyx", line 1819, in espressomd.particle_data.ParticleList.__setstate__
File "particle_data.pyx", line 1918, in espressomd.particle_data.ParticleList._place_new_particle
File "particle_data.pyx", line 1593, in espressomd.particle_data.ParticleHandle.update
File "particle_data.pyx", line 1149, in espressomd.particle_data.ParticleHandle.exclusions.__set__
ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()
Now as far as I know, this is an error-message produced by numpy if one wants to check the truth value of an array.
Is this a bug in the code or did I not pass an argument correctly?
Thanks for the help!
Martin