[gmx-developers] Building gromacs-4.5.5 using Fortran sources

Rasale, Anupama Anupama.Rasale at amd.com
Tue Nov 8 06:27:11 CET 2011

                I read in the Install Gromacs documentation that we can build Gromacs entirely in C or C mixed Fortran or C mixed assembly. But with the configure command given below I see that .c and .s files are used but the log does not list any .f files. Can you please tell me the changes I need to make in makefile or options that we need to enable in configure so that we use only the C and Fortran files to create Gromacs binaries. Below are the commands used to configure and build Gromacs-4.5.5

$../gromacs-4.5.5/configure --with-fft=fftw3 --enable-mpi --program-suffix=_mpi_s --with-pic --enable-fortran --disable-threads --enable-all-static
$make install

                I need this  information to check the performance boost we can get from our Fortran compiler?

A quick response to the same is much appreciated.


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