BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/mdtypes/state_propagator_data_gpu_impl

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Paul Bauer <paul.bauer.q@gmail.com>
	Tue, 7 Jan 2020 10:01:22 +0000 (11:01 +0100)
committer	Paul Bauer <paul.bauer.q@gmail.com>
	Tue, 7 Jan 2020 10:16:32 +0000 (11:16 +0100)
commit	343c908495c27277ba46f21b66c26da8fe7e808a
tree	55b65df49d8d72f18af21a0d3430d565e686f7c6	tree \| snapshot
parent	fae195879bdd587b374c0876af1aa272759618c3	commit \| diff
parent	d30f2cb6d8ef17d2bfffdfff5f2a79ef1e605fe3	commit \| diff

Merge commit d30f2cb6 from release-2020 into master

Merging the release-2020 branch in stages to allow update to TPR format
to be cherry-picked in.

Change-Id: I36c0861d0cb6f17a3f4ff739fa868867844f2944

69 files changed:

admin/ci-templates/.regressiontest-template.yml	diff1 \|	diff2 \|	blob \| history
admin/copyright.py	diff1 \|	diff2 \|	blob \| history
cmake/gmxCPackUtilities.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxVersionInfo.cmake	diff1 \|	diff2 \|	blob \| history
docs/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
docs/conf.py	diff1 \|	diff2 \|	blob \| history
docs/dev-manual/tools.rst	diff1 \|	diff2 \|	blob \| history
docs/release-notes/index.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/environment-variables.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/mdp-options.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/mdrun-performance.rst	diff1 \|	diff2 \|	blob \| history
python_packaging/documentation/conf.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/_logging.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/commandline.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/datamodel.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/export_tprfile.cpp	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/operation.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/version.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/setup.py	diff1 \|	diff2 \|	blob \| history
src/api/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/api/cpp/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/densityfittingforceprovider.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/domdec/domdec.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/domdec/domdec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_load_balancing.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_load_balancing.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_only.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/tests/pmetestcommon.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/pdbio.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/anadih.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/angle_correction.cpp	\|	diff2 \|	blob \| history
src/gromacs/gmxana/angle_correction.h	\|	diff2 \|	blob \| history
src/gromacs/gmxana/cmat.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/gmx_angle.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/energyoutput.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/energyoutput.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/sim_util.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/tests/energyoutput.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/trajectory_writing.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/md.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/mimic.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/minimize.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/rerun.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/runner.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/commrec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu_impl.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/computeglobalselement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/energyelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulatorinterfaces.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/pmeloadbalancehelper.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/statepropagatordata.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/statepropagatordata.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/cuda/nbnxm_buffer_ops_kernels.cuh	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/cuda/nbnxm_cuda.cu	diff1 \|	diff2 \|	blob \| history
src/gromacs/pulling/pull.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/pulling/pull.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/timing/wallcycle.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/timing/wallcycle.h	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/tests/outputfiles.cpp	\|	diff2 \|	blob \| history
tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history

Local GROMACS mirror with custom stuff

RSS Atom

admin/ci-templates/.regressiontest-template.yml	diff1 \|	diff2 \|	blob \| history
admin/copyright.py	diff1 \|	diff2 \|	blob \| history
cmake/gmxCPackUtilities.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxVersionInfo.cmake	diff1 \|	diff2 \|	blob \| history
docs/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
docs/conf.py	diff1 \|	diff2 \|	blob \| history
docs/dev-manual/tools.rst	diff1 \|	diff2 \|	blob \| history
docs/release-notes/index.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/environment-variables.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/mdp-options.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/mdrun-performance.rst	diff1 \|	diff2 \|	blob \| history
python_packaging/documentation/conf.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/_logging.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/commandline.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/datamodel.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/export_tprfile.cpp	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/operation.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/gmxapi/version.py	diff1 \|	diff2 \|	blob \| history
python_packaging/src/setup.py	diff1 \|	diff2 \|	blob \| history
src/api/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/api/cpp/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/densityfittingforceprovider.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/domdec/domdec.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/domdec/domdec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_load_balancing.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_load_balancing.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_only.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/tests/pmetestcommon.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/pdbio.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/anadih.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/angle_correction.cpp	\|	diff2 \|	blob \| history
src/gromacs/gmxana/angle_correction.h	\|	diff2 \|	blob \| history
src/gromacs/gmxana/cmat.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/gmx_angle.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/energyoutput.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/energyoutput.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/sim_util.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/tests/energyoutput.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/trajectory_writing.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/md.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/mimic.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/minimize.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/rerun.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/runner.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/commrec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu_impl.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/computeglobalselement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/energyelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulatorinterfaces.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/pmeloadbalancehelper.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/statepropagatordata.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/statepropagatordata.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/cuda/nbnxm_buffer_ops_kernels.cuh	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/cuda/nbnxm_cuda.cu	diff1 \|	diff2 \|	blob \| history
src/gromacs/pulling/pull.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/pulling/pull.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/timing/wallcycle.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/timing/wallcycle.h	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/tests/outputfiles.cpp	\|	diff2 \|	blob \| history
tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history