AMBER Archive (2008)

Subject: Re: AMBER: Which install compiler and flags?

From: David A. Case (case_at_scripps.edu)
Date: Fri Feb 08 2008 - 11:04:55 CST

On Fri, Feb 08, 2008, Sam Kaye wrote:

> I am migrating to a new machine and trying to reinstall Amber9 but I'm
> unclear on which combination of flags and compiler to give the
> ./configure script. I'm running Ubuntu 7.10 on a Intel Core 2 quad
> system (64bit). Has anyone successfully set up something similar? (I
> should also mention I'm unable to install the ifort64 compiler at the
> moment, awaiting help from intel).

Running "uname -m" will give you the architecture you are on, which is
probably x86_64. The easiest thing to do is to download the g95 compiler
(www.g95.org) and use it. You might also install gfortran --both g95 and
gfortran should work, but historically we've had fewer problems with g95.
Unless and until you run really large calculations you probably won't even
notice the speed penalty of these compilers vs. ifort.

...dac

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