I have installed CSD Python API (2020) on a CentOS 8 machine and I have launched a parallel docking with gold_multi_queue.py with 4 processes; everything started correctly but after few minutes two out of 4 processes terminated with the following error:
File "/home/stefano/CCDC/Python_API_2020/miniconda/lib/python3.7/site-packages/ccdc/docking.py", line 2092, in _get_ligands
os.path.join(self.settings.output_directory, 'gold_%s_m%d.log' % (ligs.identifier.split('|'), self._docked_ligand_count))
IndexError: list index out of range
Does anyone have any idea about the origin and possible solutions?
Thanks in advance