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

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

author	Paul Bauer <paul.bauer.q@gmail.com>
	Wed, 4 Mar 2020 07:05:31 +0000 (08:05 +0100)
committer	Paul Bauer <paul.bauer.q@gmail.com>
	Wed, 4 Mar 2020 07:07:03 +0000 (08:07 +0100)
commit	7bb193a5119321e7969229f612b2973497b185a6
tree	cb05a65730f47ecc4031f53762b362207e9090d3	tree \| snapshot
parent	714e54ca91a147324a6344cbceb95dfc62067185	commit \| diff
parent	132bd0207117563ef26affb9ad6073eecbd451e3	commit \| diff

Merge branch release-2020 into master

Resolved Conflicts:
.gitlab-ci.yml
admin/builds/gromacs.py
cmake/gmxVersionInfo.cmake
src/gromacs/ewald/pme.cpp
src/gromacs/gmxana/gmx_disre.cpp
src/gromacs/gpu_utils/cudautils.cu
src/gromacs/gpu_utils/gpu_utils.cu
src/gromacs/hardware/gpu_hw_info.h
src/gromacs/listed_forces/orires.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/forcerec.h
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/md_support.h
src/gromacs/mdlib/mdoutf.cpp
src/gromacs/mdlib/mdoutf.h
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdlib/vsite.cpp
src/gromacs/mdlib/vsite.h
src/gromacs/mdrun/minimize.cpp
src/gromacs/modularsimulator/forceelement.cpp
src/gromacs/modularsimulator/shellfcelement.cpp
src/gromacs/nbnxm/kernels_reference/kernel_ref.h
src/programs/mdrun/tests/CMakeLists.txt

Change-Id: Ic95c6b35c8a7b7bd0b9c3fa0833136d32bb74242

45 files changed:

.gitlab-ci.yml	diff1 \|	diff2 \|	blob \| history
admin/builds/gromacs.py	diff1 \|	diff2 \|	blob \| history
admin/ci-templates/.build-template.yml	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/release-notes/index.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
src/gromacs/domdec/domdec_topology.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_gpu_internal.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/checkpoint.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/gmx_disre.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/grompp.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gpu_utils/cudautils.cu	diff1 \|	diff2 \|	blob \| history
src/gromacs/gpu_utils/gpu_utils.cu	diff1 \|	diff2 \|	blob \| history
src/gromacs/hardware/gpu_hw_info.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/listed_forces/orires.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/dispersioncorrection.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/md_support.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/md_support.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdoutf.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdoutf.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/sim_util.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/vsite.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/vsite.h	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/modularsimulator/constraintelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/forceelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/shellfcelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/kernels_reference/kernel_ref.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/nbnxm_geometry.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.cpp	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history

Local GROMACS mirror with custom stuff

RSS Atom

.gitlab-ci.yml	diff1 \|	diff2 \|	blob \| history
admin/builds/gromacs.py	diff1 \|	diff2 \|	blob \| history
admin/ci-templates/.build-template.yml	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/release-notes/index.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
src/gromacs/domdec/domdec_topology.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/ewald/pme_gpu_internal.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/checkpoint.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/gmx_disre.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/grompp.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gpu_utils/cudautils.cu	diff1 \|	diff2 \|	blob \| history
src/gromacs/gpu_utils/gpu_utils.cu	diff1 \|	diff2 \|	blob \| history
src/gromacs/hardware/gpu_hw_info.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/listed_forces/orires.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/dispersioncorrection.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/md_support.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/md_support.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdoutf.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdoutf.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/sim_util.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/vsite.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/vsite.h	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/modularsimulator/constraintelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/forceelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/shellfcelement.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/kernels_reference/kernel_ref.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/nbnxm/nbnxm_geometry.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.cpp	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history