[gmx-users] GROMACS3.3.1 - configure: error: invalid variable name: –-with-fft

Simon Kit Sang Chu simoncks1994 at gmail.com
Thu Apr 6 10:12:55 CEST 2017

Hi everyone,

Due to some technical issues, I have to install gromacs 3.3.1 in order to
incorporate my desired forcefield. Following the instructions, I have to
switch the FFT library to fftpack. However, I run into this error whenever
I choose the option --with-fft, regardless the library chosen.

./configure –-with-fft=fftpack
configure: error: invalid variable name: –-with-fft

I checked ./configure and ./configure -h. Indeed, the option is available.

>From ./configure,

                          FFT library to use. fftw3 is default, fftpack

Would anyone kindly suggest possible solution or items that I could look

Thank you.


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