[AMBER] multi-threading cpu's or no multi-threading

From: Jonathan Gough <jonathan.d.gough.gmail.com>
Date: Tue, 29 May 2012 18:40:05 -0400

Dear all,

I'm new to this and just setting up a new machine. My question is. if you
have a CPU that allows multi-threading (as most modern cpu's do) do you
have it enabled or disabled for running amber calculations?

for example a quad core i7 will show 8 cpu's when in actuality it is only
really 4. The setting is changed in the bios (i know). But wondering if
and how it matters when setting a machine up to run amber. I know for QM
calculations (gamess) multi-threading doesn't help and can sometimes hurt,
and I always keep it turned off.

Any advice would be great.

Thanks,
Jonathan
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Received on Tue May 29 2012 - 16:00:02 PDT
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