Re: [AMBER] How to do clustering analysis by ptraj?

From: Jason Swails <>
Date: Wed, 25 Sep 2013 13:22:56 -0400

On Tue, Sep 24, 2013 at 4:30 AM, Biao Ma <> wrote:

> Thank you Thomas,
> because my cpptraj is make some error
> Fatal Error: This program was not built to run on the processor in your
> system.
> The allowed processors are: Intel(R) processors with Swing New Instructions
> support.

This happens when you use the Intel compilers to build Amber for a
heterogeneous system (that is, different nodes may have different

If you want to generate a universal binary for a heterogeneous computer
cluster, you will need to remove "-xHost" wherever it appears in

If you just copied over the Amber directory from a different machine with a
different processor and only intend to use your installation on your
machine, then just recompile AmberTools as Dan instructed.

Good luck,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Wed Sep 25 2013 - 10:30:04 PDT
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