Re: [AMBER] parallel installation problem: Amber11+AmberTools1.4 on a linux cluster

From: Jason Swails <>
Date: Thu, 23 Aug 2012 21:08:05 -0400

On Thu, Aug 23, 2012 at 8:14 PM, Alfred Zheng <> wrote:

> Dear All,
> I have one problem to install Amber11+AmberTools1.4 on a linux
> cluster with a parallel version.
> I do not have big problems to install serial version.
> In the serial version, I install Tools first.
> If I only use "./configure intel"
> I have error messages like the following:
> libtool: compile unable to infer tagged configuration
> When I use the command "./configure -nobintraj intel", it works fine
> for both AmberTools and Amber compilation.
> My ifort version is
> ifort (IFORT) 12.1.5 20120612
> Copyright (C) 1985-2012 Intel Corporation. All rights reserved.

This is a *very* new version of the Intel compiler (which I just got,
myself, but haven't used yet). Since this is the 2nd time I've seen a
report about the NetCDF libraries not building (or something to that
effect), I'm guessing it might have something to do with that.

Can you try an earlier version of the Intel compilers?

Also, I suggest upgrading to AmberTools 1.5 if you're going to use Amber11
(or, even better, use AmberTools 12 with Amber 12).


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Thu Aug 23 2012 - 18:30:03 PDT
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