[AMBER] GPU memory usage with center-of-mass restratints

From: David Case <david.case.rutgers.edu>
Date: Mon, 8 Oct 2018 13:08:03 +0000

Hi everyone:

Thanks to work by Charles Lin, we have an update to Amber that addresses
(and I hope solves) the extra memory usage for GPU runs that use
certain types of restraints.

Use the $AMBERHOME/update_amber script to grab update.7, and recompile.

....dac


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Received on Mon Oct 08 2018 - 06:30:02 PDT