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2017-10-05	Szilárd Páll	Fix pair list array assertion	commit \| commitdiff \| tree
2017-10-05	Szilárd Páll	Avoid -Wmissing-prototypes warnings in clang CUDA builds	commit \| commitdiff \| tree
2017-10-05	Roland Schulz	Fix that exp(load(x)) is ambiguous	commit \| commitdiff \| tree
2017-10-04	Mark Abraham	Enable group-scheme SIMD with GMX_SIMD=AVX2_128	commit \| commitdiff \| tree
2017-10-04	Aleksei Iupinov	Add GpuRegionTimer class	commit \| commitdiff \| tree
2017-10-03	Mark Abraham	Introduce and use AlignedAllocationPolicy	commit \| commitdiff \| tree
2017-10-02	Berk Hess	Remove hybrid gpu+cpu nonbonded mode	commit \| commitdiff \| tree
2017-09-26	Aleksei Iupinov	Move CUDA texture setup code from NB CUDA module to...	commit \| commitdiff \| tree
2017-09-17	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-09-15	Berk Hess	Remove nb-parameters from t_forcerec	commit \| commitdiff \| tree
2017-09-15	Mark Abraham	Express intent of matrix release build types explicitly	commit \| commitdiff \| tree
2017-09-15	Mark Abraham	Bumped patch version for next release	commit \| commitdiff \| tree
2017-09-15	Mark Abraham	Version 2016.4	commit \| commitdiff \| tree
2017-09-14	Aleksei Iupinov	Fix non-SIMD build failing	commit \| commitdiff \| tree
2017-09-14	Szilárd Páll	CUDA 9/Volta support for the pruning kernel	commit \| commitdiff \| tree
2017-09-14	Mark Abraham	Form taskassignment module	commit \| commitdiff \| tree
2017-09-14	Mark Abraham	Fix compat module definition	commit \| commitdiff \| tree
2017-09-12	Erik Lindahl	Improve accuracy of SIMD exp for small args	commit \| commitdiff \| tree
2017-09-12	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-09-12	Berk Hess	Do not pass state to init_replica_exchange	commit \| commitdiff \| tree
2017-09-11	Szilárd Páll	NVIDIA Volta performance tweaks	commit \| commitdiff \| tree
2017-09-11	Berk Hess	Fix PBC bugs in the swap code	commit \| commitdiff \| tree
2017-09-07	Mark Abraham	Introduce type-safe GPU emulation variables	commit \| commitdiff \| tree
2017-09-07	Roland Schulz	Add isIntegralConstant type trait	commit \| commitdiff \| tree
2017-09-07	Mark Abraham	Enable group-scheme SIMD kernels on recent AVX extensions	commit \| commitdiff \| tree
2017-09-06	Roland Schulz	PME-gather: Use templated functor instead of preprocessor	commit \| commitdiff \| tree
2017-09-05	Christoph Junghans	Supported quiet trajectory-handling I/O	commit \| commitdiff \| tree
2017-09-05	Mark Abraham	Fixes for Solaris	commit \| commitdiff \| tree
2017-09-05	Mark Abraham	Fix use of GPU information for thread-MPI setup	commit \| commitdiff \| tree
2017-09-04	Berk Hess	Fix two nbnxn search indexing bugs	commit \| commitdiff \| tree
2017-09-04	Roland Schulz	Fix accuracy for cvtDouble2Float/cprod	commit \| commitdiff \| tree
2017-09-04	Berk Hess	Consolidate architecture booleans	commit \| commitdiff \| tree
2017-09-03	Mark Abraham	Fix compiler flags for using MKL	commit \| commitdiff \| tree
2017-09-03	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-08-25	Mark Abraham	Fix flat-bottomed position restraints with multiple...	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Run GPU detection even for mdrun -nb cpu	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Fixed thread-MPI with non-default -npme	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Fix missing declaration of GMX_UNUSED_VALUE	commit \| commitdiff \| tree
2017-08-22	Aleksei Iupinov	Separate PME spread and gather wallcycle counters	commit \| commitdiff \| tree
2017-08-22	Berk Hess	Enable dynamic pair list pruning	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-08-21	Teemu Murtola	Simple union-find structure	commit \| commitdiff \| tree
2017-08-21	Mark Abraham	Moved increase_nstlist() to nbnxn_tuning.h	commit \| commitdiff \| tree
2017-08-21	Mark Abraham	Fix compilation issues with ARM SIMD	commit \| commitdiff \| tree
2017-08-21	Szilárd Páll	Add OpenCL pruning kernels and launch/timing logic	commit \| commitdiff \| tree
2017-08-18	Szilárd Páll	Improve awkward handling of GMX_CUDA_TARGET* help	commit \| commitdiff \| tree
2017-08-18	Vedran Miletić	Improve the "files not present" error message	commit \| commitdiff \| tree
2017-08-18	Szilárd Páll	Add CUDA pruning kernels and launch/timing logic	commit \| commitdiff \| tree
2017-08-18	Berk Hess	Add CPU reference and SIMD pruning kernels	commit \| commitdiff \| tree
2017-08-17	Mark Abraham	Replace consistency checking with assertion	commit \| commitdiff \| tree
2017-08-16	Berk Hess	Add dynamic pair-list pruning framework	commit \| commitdiff \| tree
2017-08-16	Berk Hess	Clean up nbnxn cluster pair addition code	commit \| commitdiff \| tree
2017-08-16	Mark Abraham	Parse user-supplied GPU task assignment only when needed	commit \| commitdiff \| tree
2017-08-15	David van der Spoel	Worked around missing OpenMP implementation in orires.	commit \| commitdiff \| tree
2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-08-15	Jiri Kraus	CUDA 9/Volta support for the nonbonded module	commit \| commitdiff \| tree
2017-08-15	Mark Abraham	Fix value of Ewald shift	commit \| commitdiff \| tree
2017-08-07	Mark Abraham	Fix include dependency for getenv	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Simplify resource-division efficiency check	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Decouple task assignment from task execution	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Removed unused host-side allocation code	commit \| commitdiff \| tree
2017-08-04	Mark Abraham	Stop using hwinfo_g for reporting code	commit \| commitdiff \| tree
2017-08-03	Mark Abraham	Removed unused include statements	commit \| commitdiff \| tree
2017-08-03	Berk Hess	Add check for nr of orientation restraints	commit \| commitdiff \| tree
2017-08-03	Berk Hess	Fix bugs with orientation restraints	commit \| commitdiff \| tree
2017-08-03	Carsten Kutzner	Added missing .mdp file documentation for the enforced...	commit \| commitdiff \| tree
2017-08-02	Berk Hess	Clean up matrix inversion	commit \| commitdiff \| tree
2017-08-02	Berk Hess	Fix orientation restraint reference	commit \| commitdiff \| tree
2017-08-02	David van der Spoel	Worked around missing OpenMP implementation in orires.	commit \| commitdiff \| tree
2017-08-01	Mark Abraham	Introduced Mdrunner high-level class	commit \| commitdiff \| tree
2017-07-28	David van der Spoel	Added unit-test for orientation restraints output.	commit \| commitdiff \| tree
2017-07-27	Mark Abraham	Enhance cmake and releng handling of GMX_USE_RDTSCP	commit \| commitdiff \| tree
2017-07-27	Szilárd Páll	Inform users about the end of run DLB state	commit \| commitdiff \| tree
2017-07-19	David van der Spoel	Removed unnecessary static declarations for command...	commit \| commitdiff \| tree
2017-07-14	Mark Abraham	Implemented grompp -po for options-style mdp handling	commit \| commitdiff \| tree
2017-07-14	Mark Abraham	Clean up cmake build host detection	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	Clean up gmx_mdrun()	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	Cleaned up mdrunner_start_threads	commit \| commitdiff \| tree
2017-07-11	Roland Schulz	PME-gather: make variables local and const	commit \| commitdiff \| tree
2017-07-11	Teemu Murtola	Support scoped key-value tree transform rules	commit \| commitdiff \| tree
2017-07-07	Mark Abraham	Refactor error handling in init_gpu	commit \| commitdiff \| tree
2017-07-04	Mark Abraham	Clean up pick_nbnxn_resources	commit \| commitdiff \| tree
2017-07-01	Mark Abraham	Cleaned up GPU emulation logic	commit \| commitdiff \| tree
2017-06-30	Teemu Murtola	Fix boolean serialization	commit \| commitdiff \| tree
2017-06-30	Teemu Murtola	Extend key-value tree comparison and tests	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Cleaned up high-level boolean variable naming	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Fix specification for gcc-6	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-06-27	Teemu Murtola	Do not use conf-man.py for non-manpage doc builds	commit \| commitdiff \| tree
2017-06-27	Mark Abraham	Minor improvements to test configs	commit \| commitdiff \| tree
2017-06-26	Erik Lindahl	Fix ARM NEON simd debug builds	commit \| commitdiff \| tree
2017-06-26	Szilárd Páll	Add ARM_NEON_ASIMD post-submit test	commit \| commitdiff \| tree
2017-06-26	Jiri Kraus	Updated application clock handling on Pascal+ GPUs	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Consolidated logic for choosing number of thread-MPI...	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Replace misnamed nbnxn_gpu_acceleration_supported	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Consolidate and fix logic for mdrun -nb and -gpuid	commit \| commitdiff \| tree
2017-06-21	Szilárd Páll	Re-enable lost DD warning + minor code modernization	commit \| commitdiff \| tree
2017-06-21	Mark Abraham	Reform ngpu variable	commit \| commitdiff \| tree
2017-06-21	Mark Abraham	Remove bUserSetGpuIds field	commit \| commitdiff \| tree
2017-06-12	Berk Hess	Disable PME tuning with the group scheme	commit \| commitdiff \| tree
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