Hello, I recently have a problem running my MD simulation with more than 2000 000 000 with run command. I’m running 2 Langevin thermostats. I tried use:
“run 2000000000
run 2000000000”
and
“run 2000000000
run 4000000000 upto”
But when it start with the second run it seems to start again from the beginning because thermo_style values are similar to the previous ones on in the beginning.
Unless you provide your complete input and the section of the log file containing the end of the thermo output from the first and the beginning of the thermo output from the second run command, it will be impossible to comment on the reason.
Generally, people use multiple run commands all over the place and there is generally no difference in the behavior depending on the number of steps requested. So, either you are misinterpreting the output, or your have something in your input that requires the use of the start/stop keywords for run if you want to break your run into multiple parts.