Calculation stops abruptly while writing electronic density
Hi, I am having trouble with calculations stopping abruptly while writing electronic density, as seen at the end of log.yaml
Here is the error message error_message.txt
input file input.yaml
However, not sure if this will help to identifying problem, there seems to be a case where the calculation does not stop abruptly (completes) and this is when I run with total number of parallel tasks (not including threads) = 8
Please let me know if you require more information, thank you.