Dear All,
I recently updated to the latest version of ESPResSo (commit a08b6817a9ca54bb1a88516642b251f191400a17), after having had to recompile ESPResSo and to deal with issues in the older version that I was running -- sorry, don't recall the commit, but it is from last year -- after the latest update of the OS. Using this new pypresso version I have tried to restart my runs. However, I receive the following error message:
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Traceback (most recent call last):
File "gel_coll_long_bulk.py", line 470, in <module>
checkpoint.load(checkpoint_index=1)
File "/home/jgraaf/PYTHON/gitgel/src/python/espressomd/checkpointing.py", line 159, in load
checkpoint_data = pickle.load(checkpoint_file)
File "espressomd/analyze.pyx", line 44, in espressomd.analyze.Analysis.__init__ (/home/jgraaf/PYTHON/gitgel/src/python/espressomd/analyze.cpp:2402)
TypeError: ('__init__() takes exactly 2 positional arguments (1 given)', <class 'espressomd.analyze.Analysis'>, ())
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Checkpoints that are created using the current version of ESPResSo work just fine, i.e., I can stop and restart my simulation using them. So, my guess is that something must have changed in the way checkpoints are written away or read in, between my old version and the latest one. I checked the version history on github and saw that Flo made changes to the checkpointing file about 3 months ago, but did not get much further than that.
This is, of course, a bit annoying, as it would lead to significant loss of data/compute time. Since the checkpoints are in binary, it would also be difficult to edit them manually, even if I knew what I was looking for to change. Besides there are a huge number of them, so manual editing is not really an option. Perhaps one of you has already had to deal with checkpoint conversion? Alternatively, I can go back in commits until the checkpoints work, but that would require fixing compilation issues that crop up along the way, so not the most desirable of choices. Do you have any suggestions?
I hope to hear from you soon.