Re: AMBER: amber 8 installation

From: David A. Case <>
Date: Fri, 21 Jan 2005 09:55:50 -0800

On Fri, Jan 21, 2005, Stern, Julie wrote:

> Is it okay to install the serial version of amber 8 in the
> same directory as the parallel version?

For sander, the serial and parallel versions have the same name, so if you
want access to both, you might manually rename "sander" to "sander.serial"
before making the parallel version.

Similar comments apply to pmemd.

> Is the serial
> version the same as the parallel version with 1 node? If not,
> is there a performance difference between serial and 1 node of
> parallel?

They are not the same, but the performance difference is usually tiny.
But try some tests on your machine if you are concerned about this.
Note that the parallel versions must be invoked using "mpiurn", even if you
are running on only one processor.

....good luck...dac

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Received on Fri Jan 21 2005 - 18:53:00 PST
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