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Updated Tested Config, Known Limitations sections
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Anca committed Nov 16, 2014
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14 changes: 13 additions & 1 deletion README
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Expand Up @@ -122,10 +122,17 @@ compilation of OpenCL kernels, but they are also used on the device selection.
=================
- Intel CPUs are not supported
- Intel GPUs are not supported
- The current implementation is not compatible with OpenCL devices that are not using warp/wavefronts or for which the warp/wavefront size is not a multiple of 32
- The current implementation is not compatible with OpenCL devices that are
not using warp/wavefronts or for which the warp/wavefront size is not a
multiple of 32
- The following kernels are known to produce incorrect results:
nbnxn_kernel_ElecEwQSTab_VdwLJ_VF_prune_opencl
nbnxn_kernel_ElecEwQSTab_VdwLJ_F_prune_opencl
- Due to blocking behavior of clEnqueue functions in NVIDIA driver, there is
almost no performance gain when using NVIDIA GPUs. A bug report has already
been filled on about this issue. A possible workaround would be to have a
separate thread for issuing GPU commands. However this hasn't been implemented
yet.

5. TESTED CONFIGURATIONS
=====================
Expand All @@ -145,6 +152,11 @@ nbnxn_kernel_ElecRF_VdwLJ_F_opencl |adh_cubic with rf_verlet.mdp
nbnxn_kernel_ElecRF_VdwLJ_F_prune_opencl |adh_cubic with rf_verlet.mdp |
nbnxn_kernel_ElecEwQSTab_VdwLJ_VF_prune_opencl |adh_cubic_vsites with pme_verlet_vsites.mdp |Failed
nbnxn_kernel_ElecEwQSTab_VdwLJ_F_prune_opencl |adh_cubic_vsites with pme_verlet_vsites.mdp |Failed
nbnxn_kernel_ElecEw_VdwLJ_VF_prune_opencl |adh_cubic_vsites with pme_verlet_vsites.mdp |
nbnxn_kernel_ElecEw_VdwLJ_F_opencl |adh_cubic_vsites with pme_verlet_vsites.mdp |
nbnxn_kernel_ElecEw_VdwLJ_F_prune_opencl |adh_cubic_vsites with pme_verlet_vsites.mdp |
nbnxn_kernel_ElecEwTwinCut_VdwLJ_F_prune_opencl |adh_cubic_vsites with pme_verlet_vsites.mdp |
nbnxn_kernel_ElecEwTwinCut_VdwLJ_F_opencl |adh_cubic_vsites with pme_verlet_vsites.mdp |

Input data used for testing - Benchmark data sets available here:
ftp://ftp.gromacs.org/pub/benchmarks
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