Re: [AMBER] Query regarding Amber Installation

From: Jason Swails <>
Date: Sat, 14 Apr 2012 12:05:12 -0400

On Fri, Apr 13, 2012 at 7:09 AM, Somnath Nandy <>wrote:

> Dear Sir/ Madam,
> One of our prestigious customer(educational institute) wants to use Amber12
> and AmberTools v12. They wants to run AMBER in parallel.
> Now my query is whether it is possible to run AMBER Parallel in one
> system, having more than one CPU with at least 8 core in each CPU?

Yes. You can run on a single machine that has multiple CPUs. You can
actually run as many threads as you want on any given node, but it usually
does not make sense to run more threads than you have CPUs.

> OR
> For Parallel operation, we need at least 2 Systems, in Master Slave
> configuration on a high speed network, with MPI enabled on both the system?

You can also run on multiple systems, with no need to differentiate between
master and slave (at least from an MPI perspective). They do need to be
connected so messages can be passed to one another, and the faster the
interconnect, the better the scaling will be.


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
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Received on Sat Apr 14 2012 - 09:30:03 PDT
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