AMBER Archive (2001)

Subject: Re: Sander parallel compilation

From: David Case (case_at_scripps.edu)
Date: Wed Feb 28 2001 - 12:27:40 CST

On Wed, Feb 28, 2001, Alexander Issanin wrote:

> I have no idea how to compile and run SANDER (AMBER5) parallel on Linux
> machines.

I'm putting below our current version of "INSTALL.parllel"; study the
section on "Installing and running the MPI version". Users are encouraged
to submit more detailed explanations than this one!

>
> We have 3 linux computers in our workgroup (one of them has two
> processors) with different CPU speed.

It is unlikely that you will gain too much by going to parallel runs. The
two processor machine is probably the most worth trying out.

> (www.amber.ucsf.edu/amber/parallel.html) seems not to be very useful.

I'll update that page; had not realized how out of date it is.

...thanks for your comments...dac

...regards...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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