Regarding "lossiness" of namd on GPUs

From: Bassam Haddad (
Date: Mon Oct 05 2020 - 16:19:26 CDT

Hello NAMDers,

The HPC administrator for our cluster at my university had questions for me
regarding some of the hardware specifications for running MD simulations. I
was unable to find a good answer for him with regard to the "lossiness" of
simulations, and the tolerance for high-accuracy GPU-RAM. This was the
question posed:

 - Are your processes or application "lossy," i.e. don't require strict
accuracy? (relates to the onboard GPU RAM requirements)

Thank you for your time on this matter.

Best regards,

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