[gmx-users] regarding installation

Justin A. Lemkul jalemkul at vt.edu
Fri Oct 29 18:00:19 CEST 2010

Shi, Chuanyin wrote:
> I use fftw-3.2.2 and no problem on local desktop and clusters.
> Maybe you need to check that library file to see whether your fftw is installed successfully.

More likely the OP did not follow the installation instructions and failed to 
set LDFLAGS appropriately.


> Chuanyin Shi
> Department of Chemistry & Biochemistry
> University of Oklahoma
> Email: cshi at ou.edu
> ________________________________________
> From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Anamika Awasthi [aawasthi28 at gmail.com]
> Sent: Friday, October 29, 2010 1:52 AM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] regarding installation
> Dear friends,
>       i have installed gromacs 4.5-beta3 and fftw-3.2.8 on root, now when I am giving command
>       ./configure --enable-threads, it is showing error: cannot find fftw3f library.
>    please let me know, why this error is showing here?
>  thank you in advance
>  Anamika


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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