[AMBER] PHI Intel Compilation

From: Jacopo Sgrignani <sgrigna.gmail.com>
Date: Tue, 2 Sep 2014 15:40:39 +0200

Dear all
I compiled pmemd for a PHI intel accelerator in the native mode.

To run the calculation I use this command: ssh mic0 "export LD_LIBRARY_PATH=/tmp/; cd /tmp; ./pmemd.mic_native -O -i md.in -p letroamber2.prmtop -c letroamber2.inpcrd -o prova.outĒ &

The simulation starts but it is extremely slow 0.05 ns/day.

Iím new in using this hardware, so I would like to ask some advices for speeding up my simulation.
Do I need intel_mpi libraries also for running in native mode?
Is my command line correct?

Thanks in advance

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Received on Tue Sep 02 2014 - 07:00:03 PDT
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