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
To: Discussion list for GROMACS users<gmx-users@gromacs.org>
<mailto:gmx-users@gromacs.org>
Reply-To: Discussion list for GROMACS users<gmx-users@gromacs.org>
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Subject: Re: [gmx-users] gromacs installation error
--
Javier CEREZO BASTIDA
PhD Student
Physical Chemistry
Universidad de Murcia
Murcia (Spain)
Tlf.(+34)868887434
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