Dear All,
I would like to compile gromacs 4.6 to run with the correct acceleration
on the compute nodes on our local cluster. Some of the nodes have intel
sandy-bridge whilst others only have sse4.1 and some (including the
login and single core job nodes) are still stuck on ssse3 (gmx would use
sse2 acceleration here).
Installing several versions is not a problem however, I'm not sure how
to make cmake build a version of the code that is not using the
acceleration for the system on which the code is being compiled.
Restrictions on job sizes makes running the compilation on the
sandy-bridge nodes almost impossible. Can anyone let me know which flags
cmake needs to enable avx-256 acceleration?
my standard cmake line is:
$ CC=mpiicc CXX=mpiicpc ; cmake -DGMX_OPENMP=ON -DGMX_MPI=ON
-DGMX_DOUBLE=ON -DGMX_GPU=OFF -DGMX_PREFER_STATIC_LIBS=ON
-DGMX_FFT_LIBRARY=mkl -DMKL_INCLUDE_DIR=$MKLROOT/include
-DMKL_LIBRARIES="$MKLROOT/lib/intel64/libmkl_core.so;$MKLROOT/lib/intel64/libmkl_intel_lp64.so;$MKLROOT/lib/intel64/libmkl_sequential.so"
-DCMAKE_INSTALL_PREFIX=$HOME/libs/gromacs ../
Thanks,
Richard
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