Re: [AMBER] Amber16 benchmark suite error

From: David Case <>
Date: Sun, 8 Jan 2017 08:25:45 -0500

On Sat, Jan 07, 2017, Ross Walker wrote:

> ...better yet just download mpich and compile it yourself. E.g.

Equivalent to what Ross suggests:

   cd $AMBERHOME/AmberTools/src
   ./configure_mpich --help

and follow the instructions. This is the recommended procedure to install MPI
if you don't already have one that works, and if you don't have specialized
interconnect hardware that needs something else.

(And, of course, be sure you actually *need* pmemd.cuda.MPI.)


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Received on Sun Jan 08 2017 - 05:30:02 PST
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