On 7/12/2011 11:25 PM, aiswarya pawar wrote:
when i gave following command for gromacs=

./configure  --with-fft=fftw3 --enable-float --disable-threads

it installed gromacs successfully, but i require a mpi mdrun. when i give enable mpi it gives me same error as fftw3 library not found.

Probably something is wrong with (the configuration of) your MPI compiler if it can't pick up the location of FFTW and your normal compiler does. Unfortunately you've made it hard to give any more useful help by losing the original context for the discussion.

Mark


Thanks


On Wed, Dec 7, 2011 at 2:21 PM, Javier Cerezo <j...@um.es <mailto:j...@um.es>> wrote:

    You mean that

    $> ls /home/fftw

gives you the content of the installed fftw library (i.e. bin/ include/ lib/ share/)?

    El 06/12/11 16:21, aiswarya.pa...@gmail.com
    <mailto:aiswarya.pa...@gmail.com> escribió:
    Hi,

    Thanks for the reply, I check the path and everything still I get this 
error.


    Sent from my BlackBerry® on Reliance Mobile, India's No. 1 Network. Go for 
it!

    -----Original Message-----
    From: Javier Cerezo<j...@um.es>  <mailto:j...@um.es>
    Sender:gmx-users-boun...@gromacs.org  <mailto:gmx-users-boun...@gromacs.org>
    Date: Tue, 06 Dec 2011 13:30:55
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    Subject: Re: [gmx-users] gromacs installation error




-- Javier CEREZO BASTIDA
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    Physical Chemistry
    Universidad de Murcia
    Murcia (Spain)
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