On Fri, Sep 12, 2014, Lawrenz, Morgan wrote:
> What are the ramifications of building amber - serial or parallel -
> without fftw (i.e. the -nofftw3 flag for configure)?
> I see that it "disables RISM and the FFT solver in pbsa," so does this
> only affect mmpb/gbsa calculations? Not standard MD?
The -nofftw3 flag should have a minor effect on standard MD.
> I will need both, and installation with that flag is the only one
> successfully compiling for me right now.
I'd encourage you to post the problems you are having; the ones we know about
involve cleaning up all traces of an earlier fftw3 installation if you decide
to change compilers. But we'll do our best to help out, and tracking down
bugs helps everyone.
...thx...dac
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Received on Fri Sep 12 2014 - 11:00:02 PDT
