[gmx-users] [Fwd: Reg configuration of GROMACS in cygwin]

leafyoung81-group at yahoo.com leafyoung81-group at yahoo.com
Fri Jan 13 09:53:00 CET 2006

open file config.log and look for word "error".

Yang Ye
David van der Spoel <spoel at xray.bmc.uu.se> wrote: 

-------- Original Message --------
Subject:  Reg configuration of GROMACS in cygwin
Date:  Fri, 13 Jan 2006 11:03:03 +0530
From:  Nataraj Balakrishnan 
To:  spoel at xray.bmc.uu.se

Dear Sir,
          I have seen your replies regarding usage of GROMACS in Cygwin
in gmxuser forum. I am having a serious error while I run my configure
program of gromacs. It ends up with the error of following last lines of
the terminal.

checking for fseeko... yes
checking for sqrt in -lm... yes
checking for fftw3.h... yes
checking for main in -lfftw3f... no
configure: error: Cannot find fftw3f library

I stricly followed the steps of configuration and installation of fftw
as per the guidliness GROMACS webpage. the FFTW installed without any
error generated.  Infact I installed FFTW both as double precision and
float option as per the guidliness in GROMACS webpage.

But it really a problem when comes to the GROMACS configuration.

Kindly help to fix the problem.

with regards,

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,   75124 Uppsala, Sweden
phone: 46 18 471 4205  fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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