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

[Simon Kit Sang Chu]

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,

--with-fft=[fftw3/fftw2/mkl(>=6.0)/fftpack]
                          FFT library to use. fftw3 is default, fftpack
built
                          in.


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

Thank you.

Regards,
Simon