namd mpi

From: Stefano Guglielmo (stefano.guglielmo_at_unito.it)
Date: Fri Jun 22 2018 - 07:46:27 CDT

Dear namd users,

I have a kind of basic question: in case of a single node with more than
one cpu (actualy two in my case) would NAMD benefit of compilation with
OpenMPI? And if so, would it be possible for it to use gpu acceleration as
well?

Thanks
Stefano

-- 
Stefano GUGLIELMO PhD
Assistant Professor of Medicinal Chemistry
Department of Drug Science and Technology
Via P. Giuria 9
10125 Turin, ITALY
ph. +39 (0)11 6707178

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