Re: [gmx-users] compiling on different architecture than the compute nodes architecture

2013-02-08 Thread Mark Abraham
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

Re: [gmx-users] compiling on different architecture than the compute nodes architecture

2013-02-07 Thread Broadbent, Richard
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.

Re: [gmx-users] compiling on different architecture than the compute nodes architecture

2013-02-06 Thread Szilárd Páll
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

Re: [gmx-users] compiling on different architecture than the compute nodes architecture

2013-02-06 Thread Carsten Kutzner
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

[gmx-users] compiling on different architecture than the compute nodes architecture

2013-02-06 Thread Richard Broadbent
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