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2020-11-23	Paul Bauer	Fixes for Intel and container build fixes	commit \| commitdiff \| tree
2020-10-05	Paul Bauer	Fix debug message location	commit \| commitdiff \| tree
2020-09-10	Gilles Gouaillardet	fix check_assign_interactions_atom()	commit \| commitdiff \| tree
2020-06-16	Artem Zhmurov	Add missing end-of-line in the GPU update assignment...	commit \| commitdiff \| tree
2020-06-04	Artem Zhmurov	Update the release notes	commit \| commitdiff \| tree
2020-04-29	Artem Zhmurov	Fix the number of steps check when checkpoint is loaded	commit \| commitdiff \| tree
2020-04-01	Mark Abraham	Fix minor bug with tools time-unit conversions	commit \| commitdiff \| tree
2020-03-19	Szilárd Páll	Fix DLB initial state reporting	commit \| commitdiff \| tree
2020-03-07	Paul Bauer	Add clang-tidy script	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Add Cuda build to gitlab CI	commit \| commitdiff \| tree
2020-02-22	David van der Spoel	Fixed bug in gmx disre due to inconsistency in input.	commit \| commitdiff \| tree
2020-02-15	Szilárd Páll	Fix gpuudpate and gpucomm matrix docs	commit \| commitdiff \| tree
2020-01-24	Szilárd Páll	Fix deadlock in PP-PME balancing startup delay	commit \| commitdiff \| tree
2020-01-22	Berk Hess	Clarify COMM/posres grompp note	commit \| commitdiff \| tree
2019-12-30	Mark Abraham	Remove use of tuple in LINCS code for GPU implementation	commit \| commitdiff \| tree
2019-12-20	Paul Bauer	Fix wrong header in release notes	commit \| commitdiff \| tree
2019-12-18	Alan Gray	Fix conditional on assertion for combining GPU Update...	commit \| commitdiff \| tree
2019-12-17	Berk Hess	Add note for COM removal with position restraints	commit \| commitdiff \| tree
2019-12-17	Artem Zhmurov	Clean-up buffer-ops CUDA kernels	commit \| commitdiff \| tree
2019-12-17	Szilárd Páll	Comment the use of waitCoordinatesCopiedToDevice	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Set correct dependency for doc build on gmxapi	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Fix compiler warning about extra ;	commit \| commitdiff \| tree
2019-12-17	Szilárd Páll	Add wallcycle counting to StatePropagatorDataGpu	commit \| commitdiff \| tree
2019-12-11	Artem Zhmurov	Enable most of the pulling flavors with GPU update	commit \| commitdiff \| tree
2019-12-10	Artem Zhmurov	Set GPU update to false in case of a rerun	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Make Leap-Frog CUDA kernel selection safer	commit \| commitdiff \| tree
2019-11-28	Artem Zhmurov	Fix pressure coupling with GPU update	commit \| commitdiff \| tree
2019-11-27	Artem Zhmurov	Combine two booleans in md loop	commit \| commitdiff \| tree
2019-11-27	Mark Abraham	Disable GPU PME-PP communication with mdrun -pmefft cpu	commit \| commitdiff \| tree
2019-11-26	Alan Gray	Bug fix for nonlocal D2H coordinate transfer synchronization	commit \| commitdiff \| tree
2019-11-23	Artem Zhmurov	New cool quote	commit \| commitdiff \| tree
2019-11-20	Alan Gray	Move pmePpCommGpu reset outside do_md	commit \| commitdiff \| tree
2019-11-19	Mark Abraham	Updated release notes for CODATA update	commit \| commitdiff \| tree
2019-11-19	Artem Zhmurov	Fix icc-19 warning in nightly matrix	commit \| commitdiff \| tree
2019-11-13	Paul Bauer	Add build to run clang-format update on Jenkins	commit \| commitdiff \| tree
2019-11-03	Szilárd Páll	Improve SimulationWorkload doxygen	commit \| commitdiff \| tree
2019-10-30	Berk Hess	Fix walls with GPU update	commit \| commitdiff \| tree
2019-10-29	Berk Hess	Disable pressure coupling with GPU update	commit \| commitdiff \| tree
2019-10-28	Szilárd Páll	Extend SimulationWorkload with CPU flags	commit \| commitdiff \| tree
2019-10-21	Szilárd Páll	Override GMX_GPU_DD_COMMS if nonbondeds are off	commit \| commitdiff \| tree
2019-10-18	Artem Zhmurov	Remove excessive H2D and D2H coordinates copies when...	commit \| commitdiff \| tree
2019-10-17	Szilárd Páll	Disable GMX_GPU_PME_PP_COMMS if PME is not offloaded	commit \| commitdiff \| tree
2019-10-16	Szilárd Páll	Fix initialization of field in PME data structure	commit \| commitdiff \| tree
2019-10-16	Artem Zhmurov	Link GPU force producer and consumer tasks	commit \| commitdiff \| tree
2019-10-15	Alan Gray	PME/PP GPU Pimpl Class and GPU->CPU Communication for...	commit \| commitdiff \| tree
2019-10-15	Szilárd Páll	Link GPU coordinate producer and consumer tasks	commit \| commitdiff \| tree
2019-10-14	Artem Zhmurov	Add separate constructor to StatePropagatorDataGpu...	commit \| commitdiff \| tree
2019-10-13	Szilárd Páll	Enable StatePropagatorGpuData for force transfers	commit \| commitdiff \| tree
2019-10-13	Szilárd Páll	Move buffer ops / PME F reduction flags into StepWorkload	commit \| commitdiff \| tree
2019-10-12	Artem Zhmurov	Centralize management of forces ready on GPU event	commit \| commitdiff \| tree
2019-10-12	Artem Zhmurov	Change copy mode to Async in PME only rank	commit \| commitdiff \| tree
2019-10-11	Artem Zhmurov	Wrong locality was used when ignoring the PME force...	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Migrate code to using SimulationWorkload flags	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Remove incorrect GPU task dependency	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Pass list of EventSynchronizers to GPU reduction	commit \| commitdiff \| tree
2019-10-10	Paul Bauer	Basic population of simulation workload	commit \| commitdiff \| tree
2019-10-10	Artem Zhmurov	Add management for velocities and forces copy events...	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Add management for coordinates copy events into StatePropaga...	commit \| commitdiff \| tree
2019-10-07	Artem Zhmurov	Pass the GPU streams to StatePropagatorDataGpu constructor	commit \| commitdiff \| tree
2019-10-07	Mark Abraham	Extend GPU traits class	commit \| commitdiff \| tree
2019-10-07	Artem Zhmurov	Clean up the comments sections in Update-Constrain	commit \| commitdiff \| tree
2019-10-07	Artem Zhmurov	Fix a bug in GPU halo exchange initialization	commit \| commitdiff \| tree
2019-10-03	Berk Hess	Use gmx::Range for iZones in pair search	commit \| commitdiff \| tree
2019-10-02	Carsten Kutzner	Update the www link to the Doxygen documentation in...	commit \| commitdiff \| tree
2019-09-30	Szilárd Páll	Move PME GPU program building later	commit \| commitdiff \| tree
2019-09-27	Artem Zhmurov	Slight improvements to GPU update/constraints initialization	commit \| commitdiff \| tree
2019-09-27	Szilárd Páll	Switch GPU update off by default	commit \| commitdiff \| tree
2019-09-27	Artem Zhmurov	Introduce stream management to GPU Update-Constraints	commit \| commitdiff \| tree
2019-09-27	Berk Hess	Extract gmx::Range	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Stop checking CUDA version reported by nvcc	commit \| commitdiff \| tree
2019-09-22	Artem Zhmurov	Disable GPU update/constraints when neither PME nor...	commit \| commitdiff \| tree
2019-09-11	Mark Abraham	Make gmx_multisim_t a C++ object	commit \| commitdiff \| tree
2019-09-10	Mark Abraham	Avoid warning in no-mpi build	commit \| commitdiff \| tree
2019-09-10	Artem Zhmurov	Making DeviceBuffer availible in non-GPU builds	commit \| commitdiff \| tree
2019-09-10	Paul Bauer	Add indication on how to enable ImageMagick convert	commit \| commitdiff \| tree
2019-09-09	Szilárd Páll	Assert the types of OpenCL kernels arguments	commit \| commitdiff \| tree
2019-08-25	Artem Zhmurov	Make use of recent changes to prepareKernelArguments...	commit \| commitdiff \| tree
2019-08-25	Artem Zhmurov	Misceleneous improvements to the Leap Frog tests	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Apply clang-tidy-8 readability-uppercase-literal-suffix	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Use potential-shift as default modifier	commit \| commitdiff \| tree
2019-08-09	Berk Hess	Move bonded function table into bonded.cpp	commit \| commitdiff \| tree
2019-08-08	Mark Abraham	Initialize gmx_ekindata_t and t_vcm properly	commit \| commitdiff \| tree
2019-08-06	Artem Zhmurov	Fix for cmake lists in mdlib tests	commit \| commitdiff \| tree
2019-07-31	Artem Zhmurov	Change the file structure in constraints tests	commit \| commitdiff \| tree
2019-07-31	Szilárd Páll	Store wcycle pointer in nonbonded_verlet_t	commit \| commitdiff \| tree
2019-07-26	Artem Zhmurov	Remove PImpl scaffolding from CUDA version of SETTLE	commit \| commitdiff \| tree
2019-07-05	Kevin Boyd	Change error message when attempting to offload to...	commit \| commitdiff \| tree
2019-07-05	Artem Zhmurov	Remove PImpl scaffolding from CUDA version of LINCS	commit \| commitdiff \| tree
2019-07-04	Artem Zhmurov	Use reallocateDeviceBuffer(...) in CUDA version of...	commit \| commitdiff \| tree
2019-07-03	Artem Zhmurov	Early exit for CUDA versions of SETTLE and LINCS	commit \| commitdiff \| tree
2019-07-03	Artem Zhmurov	Memory management fixes in CUDA version of LINCS	commit \| commitdiff \| tree
2019-06-28	Szilárd Páll	Separate CPU NB kernel and buffer clearing subcounters	commit \| commitdiff \| tree
2019-06-28	Magnus Lundborg	Fused GPU bonded kernels	commit \| commitdiff \| tree
2019-06-18	Artem Zhmurov	Combine CUDA Leap-Frog, LINCS and SETTLE. I.	commit \| commitdiff \| tree
2019-05-24	Artem Zhmurov	Clarify which of the main energy terms are printed.	commit \| commitdiff \| tree
2019-05-13	Paul Bauer	Fix math formatting in reference manual	commit \| commitdiff \| tree
2019-05-12	Artem Zhmurov	CUDA version of Leap-Frog integrator with basic tests	commit \| commitdiff \| tree
2019-05-06	Mark Abraham	Improve how mdrun -noappend names output files	commit \| commitdiff \| tree
2019-05-02	Artem Zhmurov	Use test with parameters for EnergyOutput	commit \| commitdiff \| tree
2019-04-30	Artem Zhmurov	CUDA version of SETTLE algorithm with basic tests	commit \| commitdiff \| tree
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