[lammps-users] runs with > INT_MAX steps

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1

Hi. I think this has been asked before but I can’t find the thread. It seems the timestep is limited to INT_MAX, which is 2.15 billion. Is there a way to get around this (other than resetting timestep to zero periodically) without editing the code everywhere to change the type of timestep variables to long int?

Thanks,
Rob

2

resetting to 0 periodically is the best current option. lots of places
in the code would have to change to make this variable a 64 bit int

Steve

3

Hi, Steve. Since I don’t want to reset to zero, I went ahead and made the timestep a 64 bit int. There were indeed a lot of places that needed editing! The modified code runs without apparent error, and I am verifying it. Let me know whether you’re interested in potentially integrating this into the public dist.

Best,
Rob