Re: AMBER: Parallel error in Amber 8

From: David A. Case <>
Date: Mon, 6 Feb 2006 15:37:56 -0800

On Mon, Feb 06, 2006, snoze pa wrote:

> I am getting following error message when compiling amber with LAM.

> make[1]: ifort: Command not found

The next message talked about changing the script (in an unspecified way)
to get:

make[1]: o: Command not found

Until you can learn how to decode error messages like these and track
down what might be going on, you might be swimming upstream in trying to get
this all to work. What you did the second time probably just made things
worse. [The first error means that the compiler is not in your $PATH; you
probably need to include something like "source <path-to-ifort>/ifortvars.csh"
in your .cshrc file.]

I will certainly admit that this can require some experience: you have to
know/learn what the phrase "command not found" means, and you also have to
know/learn that "ifort" is the name of the Intel compiler executable.
You need to be sure that you can compile simple fortran code in your
environment before working on a very complex system like Amber.

The fact is that every parallel installation is just a little different.
You can try to follow the instructions on the web site, but you have to be
a little flexible and do some detective work if/when things don't work out
exactly correctly. Maybe you can gain some good experience with the serial
verison of Amber while working through how to get a parallel version created.
Again, you need to be sure you can run the sample test cases that come with
LAM to gain enough experience to configure a more complicated program.

...good luck...dac

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Received on Tue Feb 07 2006 - 06:10:08 PST
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