NAMD3 Multi-GPU features?

From: Smith, Harper E. (
Date: Tue Nov 29 2022 - 16:40:50 CST


I am getting great performance with NAMD3, both for single- and multi-GPU setups. I am tempted to switch from NAMD2.14, but there are some features that aren't yet compatible:

  * Electric field, SMD, and constraints for multi-GPU
  * TCL forces
  * Colvars

Is there any timeline for when these features might become available? The log file says I should bribe with coffee -- dark roast?!

Harper Smith

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