Re: [AMBER] error in amber 16 mpi installation

From: Michael Shokhen <>
Date: Thu, 22 Dec 2016 19:31:23 +0000

Hi Dan,

The last line in the file fftw3_config.log is

configure: error: could not find mpi library for --enable-mpi

Could you please advise me how to correct the error?

Thank you,


Michael Shokhen, PhD
Associate Professor
Department of Chemistry
Bar Ilan University,
Ramat Gan, 52900
From: Daniel Roe <>
Sent: Thursday, December 22, 2016 9:00:04 PM
To: AMBER Mailing List
Subject: Re: [AMBER] error in amber 16 mpi installation

On Thu, Dec 22, 2016 at 1:35 PM, Michael Shokhen
<> wrote:
> Configuring fftw-3.3 (may be time-consuming)...
> Error: FFTW configure returned 1
> FFTW configure failed! Check the fftw3_config.log file
> in the /var/spool/scratch/shokhen/amber16/AmberTools/src directory.
> Configure failed due to the errors above!
> Your advice how to fix the error highly appreciated.

Did you follow the above suggestion? Are any errors reported in


Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
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Received on Thu Dec 22 2016 - 12:00:02 PST
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