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Question about checkpoint

From: Lili Zeng
Subject: Question about checkpoint
Date: Tue, 7 Dec 2021 19:21:45 +0000


I'm a PhD student at McGill University in Montreal, Canada, studying polymer physics, and I'm a user of ESPResSo (version 4.1). I have a question about checkpoints. I noticed that when I run a simulation (say, with 2000 timesteps) in one shot, the final positions of my particles are different from when I run the first half of an identical simulation (so 1000 timesteps), then save under checkpoint, restore the simulation using checkpoint, and run to completion (another 1000 timesteps). This is true even for the simplest systems, eg one single particle suspended in space with no interactions. In this case, the difference in the final particle position is very small (on order of 10^(-6) for a particle of size 1 in a system box of size 50), but it still exists. I wanted to ask whether this is normal, and whether there is any way to get identical results using checkpoint compared to when not using checkpoint. 

Thank you!


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