Dear Amber users !
I have seen many amber tutorials that proposed to use pmemd for energy
minimization prior to equilibration / production run via pmemd.cuda.
I've just tried to run minimization using pmemd.cuda and did not
notice any problems with the exemption that it was much faster
compared to the execution with pmemd.
Does it mean that there are no problems with running minimization with GPU?
Otherwise, are there some limitations for particular GPUs ?
Many thanks in advance
Enrico
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 24 2023 - 08:30:01 PDT
