[gmx-users] Compiling GROMACS with fftw3

vansh vsharma at imtech.res.in
Tue Nov 19 10:56:27 CET 2013


hi kelvin,
try getting latest version of fftw library that is 3.3.3
and install either single or double precision library using specific tag.
for example enable tag in case of single precision library
with  ./configure command.

reference : http://www.fftw.org/doc/Installation-on-Unix.html

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thanks in advance :)
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