Simulation crashes on GPU

From: Mohan maruthi sena (
Date: Tue Oct 24 2017 - 05:25:10 CDT

Dear all,
             I have submitted a job on GPU machine of model Nvidia TITAN X
using NAMD 2.10 CUDA version and I have submitted the same job on another
GPU of model Nvidia GeForce GTX 1080 Ti GPUs using NAMD 2.12 CUDA version.
The later job crashes with the error " Atoms moving too fast" but the
first job completes successfully. My system does not have any bad
interactions and can anyone explain me this.

Thanks in advance,


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