Incorrect restarting velocities

From: Kodituwakku,Dimuthu Nirmani (
Date: Fri Oct 02 2020 - 09:53:02 CDT

Hi all,

I'm running on GPUs through SLURM scripts. Once my submission timeout and stops in the middle I restart my calculations using my restart files. But in some cases, it fails to write the velocity restart files and I restart using restart.velocity.old file . I see a significant drop of my starting temperature from 300 K to 250 K. Is there a reason for that?

I have attached my .conf and restart files here.





Thank you,

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