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

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Fri Sep 3 10:21:51 CEST 2004

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

Anyone has experience in compiling GROMACS on AMD 64-bit machine?


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