Re: [AMBER] compile ambertools with -nofftw3

From: case <>
Date: Mon, 2 Sep 2013 09:27:16 -0400

On Mon, Sep 02, 2013, sunyeping wrote:
> I tried to compile ambertools using "./configure gnu", but when I enter
> "make install" command, it comes out many error related to fftw3. so
> I recompile it with "./configure -nofftw3 gnu", and this time "make
> install" command seems successful, and "make test" all passed. However,
> does anyone know what is the effect of the "-nofftw3" flag on
> ambertools function? Would it affects the input parameter file
> preparation and makes similation fail? By using the .top and .crd
> files prepared by ambertools, I find the simulation system collapsed
> rapidly during minimization.  Is it related to the fftw3 problem? 

They are unrelated. Programs that required fftw3 (pbsa, rism, mdgx) are not
compiled if the -nofttw3 flag is given.

It would be of interest to know what the "many" errors were, and what version
of the gnu compilers you are using.


AMBER mailing list
Received on Mon Sep 02 2013 - 06:30:03 PDT
Custom Search