[gmx-users] compiling GROMACS on AMD 64-bit machine

[David van der Spoel]

On Fri, 2004-09-03 at 10:21, Nguyen Hoang Phuong wrote:
> Dear All,
> 
> I'm compiling the version 3.2.1 of GROMACS on an AMD 64-bit machine. I'm
> able to comiple FFTW with the vesion fftw-3.0.1. When I compile GROMACS I
> get this error
> 
> checking for dfftw.h... yes
> configure: error: Cannot find any double precision dfftw.h or fftw.h
> Do you have double precision FFTW installed?
> 
> The dfftw.h has been in the ~/FFTW/fftw-3.0.1/include and I gave the
> correct paths in the CPPFLAGS and LDFLAGS environment before running
> configure.
> 
> Anyone has experience in compiling GROMACS on AMD 64-bit machine?
you need fftw 2.1.5

fftw 3 does not support mpi and the api is different.
> 
> Phuong
> 
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-- 
David.
________________________________________________________________________
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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