[gmx-users] Building Single and Double Precision in 4.6.1?

Mike Hanby mhanby at uab.edu
Mon Apr 15 17:39:10 CEST 2013


Howdy,

What's the proper procedure for building both single and double precision and installing them to the same directory?

For example, is this the proper set of steps?

#Build and install single precision
cmake .. \
   -DGMX_BUILD_OWN_FFTW=ON \
   -DCMAKE_INSTALL_PREFIX=/share/apps/gromacs/4.6.1 \
   -DREGRESSIONTEST_DOWNLOAD=ON
make
make check
make install

cmake .. \
   -DGMX_BUILD_OWN_FFTW=ON \
   -DGMX_DOUBLE=ON \
   -DCMAKE_INSTALL_PREFIX=/share/apps/gromacs/4.6.1 \
   -DREGRESSIONTEST_DOWNLOAD=ON
make
make check
make install

Or is there a more efficient way? Thanks, Mike



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