Aiqun,
Please include the list in the messages as others can help you. Also it’s helpful for others with similar problem to follow the thread. I think you need at least to include the energy of the system too (as Axel mentioned).
Kasra.
Hi kasra,
Thanks for your suggestion. I will run it again with the same seed and see it crashes at the same time step.
And also output more parameters.
Sorry about that not specifying the meaning of the two columns.
The 1st one is the timestep, 2nd one is the temperature.