On Thu, Feb 7, 2013 at 10:00 AM, Broadbent, Richard <
richard.broadben...@imperial.ac.uk> wrote:
> Dear Silard,
>
> cmake -DGMX_CPU_ACCELERATION=AVX_256 -DGMX_DEFAULT_SUFFIX=OFF
> -DGMX_BINARY_SUFFIX="_avx" -DGMX_OPENMP=ON -DGMX_MPI=ON -DGMX_DOUBLE=ON
> -DGMX_GPU=OFF -DGMX_PREFER_STATIC_LIBS=ON
Dear Silard,
cmake -DGMX_CPU_ACCELERATION=AVX_256 -DGMX_DEFAULT_SUFFIX=OFF
-DGMX_BINARY_SUFFIX="_avx" -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.
On Wed, Feb 6, 2013 at 6:03 PM, Richard Broadbent <
richard.broadben...@imperial.ac.uk> wrote:
> 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 s
Hi,
On Feb 6, 2013, at 6:03 PM, Richard Broadbent
wrote:
> 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 lo
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 us
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