[lammps-users] How many atoms can lammps simulate ? – LAMMPS Mailing List Mirror

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far as I know no one has yet been able to simulate billions with LAMMPS.

You have to update your knowledge. LAMMPS has been updated to support multi-billion atom systems quite some time ago.
I don’t remember the exact study, but I recall somebody mentioning simulations with 10s of billions of atoms that were done using LAMMPS.

There may be a bit of a friendly competition between LAMMPS and NAMD users for who has been running the simulation of the largest system.
Those will become more common as new exascale supercomputers are scheduled to come online.

We would not have pull requests like this one, github.com/lammps/lammps/pull/3021

If people would not run multi-billion atom simulations and run into size limitations of LAMMPS features. :wink:

Axel.

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