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2017-11-24	Mark Abraham	Add PME integration test	commit \| commitdiff \| tree
2017-11-24	Mark Abraham	Extend task assignment code	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Mention gmx_install_headers() in the developer manual	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Make FFT real-space grid use CUDA pinning for mixed...	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Pin coordinates, forces and charges for PME on GPU	commit \| commitdiff \| tree
2017-11-22	Pascal Merz	Proof of concept: Physical validation suite	commit \| commitdiff \| tree
2017-11-21	Erik Lindahl	Separate SIMD flag detection from management	commit \| commitdiff \| tree
2017-11-21	Mark Abraham	Support pinning in HostAllocator	commit \| commitdiff \| tree
2017-11-21	Viveca Lindahl	Add force correlation to AWH module	commit \| commitdiff \| tree
2017-11-21	Paul Bauer	First general additions to the documentation	commit \| commitdiff \| tree
2017-11-19	Viveca Lindahl	Add AWH section to manual.	commit \| commitdiff \| tree
2017-11-19	Viveca Lindahl	Add AWH biasing module + tests	commit \| commitdiff \| tree
2017-11-17	Mark Abraham	Use HostAllocationPolicy for chargeA	commit \| commitdiff \| tree
2017-11-17	Mark Abraham	Add checking function for whether a buffer is pinned	commit \| commitdiff \| tree
2017-11-17	Mark Abraham	Improve handling of PME GPU force buffer	commit \| commitdiff \| tree
2017-11-15	Aleksei Iupinov	Rename and expose "generic" GPU memory transfer functions	commit \| commitdiff \| tree
2017-11-10	Mark Abraham	Import cmake Modules/FindCUDA.cmake	commit \| commitdiff \| tree
2017-11-09	Aleksei Iupinov	Rename synchronous GPU transfer functions to match...	commit \| commitdiff \| tree
2017-11-09	Mark Abraham	Prepared t_mdatoms for using vector	commit \| commitdiff \| tree
2017-11-09	Mark Abraham	Introduce HostAllocationPolicy	commit \| commitdiff \| tree
2017-11-09	Roland Schulz	ICC should use ZMM if code anyhow uses ZMM	commit \| commitdiff \| tree
2017-11-07	Mark Abraham	Reform gmx_pme_pp alloc and use vector	commit \| commitdiff \| tree
2017-11-07	Mark Abraham	Introduce gmxopencl.h	commit \| commitdiff \| tree
2017-11-07	Mark Abraham	Test clang on ARM in nightly matrix	commit \| commitdiff \| tree
2017-11-07	Szilárd Páll	Add wallcycle timer for the PME GPU F reduction	commit \| commitdiff \| tree
2017-11-07	Szilárd Páll	Split off nbnxn GPU timing and staging reduction	commit \| commitdiff \| tree
2017-11-07	Mark Abraham	Improve PME includes	commit \| commitdiff \| tree
2017-11-07	Szilárd Páll	Deduplicate CUDA and OpenCL timer struct	commit \| commitdiff \| tree
2017-11-06	David van der Spoel	Fixed check for water in gen_vsite.cpp	commit \| commitdiff \| tree
2017-11-03	Mark Abraham	Merge "Merge branch release-2016"	commit \| commitdiff \| tree
2017-11-02	David van der Spoel	New mdp input for electric fields.	commit \| commitdiff \| tree
2017-11-02	Aleksei Iupinov	Replace math.h by cmath includes in cpp files	commit \| commitdiff \| tree
2017-11-02	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-11-01	Paul Bauer	Small change to LaTeX manual generation	commit \| commitdiff \| tree
2017-11-01	Mark Abraham	Fix thread-MPI rank choice for orientation restraints	commit \| commitdiff \| tree
2017-11-01	Aleksei Iupinov	Remove unused PME GPU declarations	commit \| commitdiff \| tree
2017-11-01	Aleksei Iupinov	Move pme_gpu_finish_computation() documentation to...	commit \| commitdiff \| tree
2017-11-01	Paul Bauer	Fixing missing references in web documentation	commit \| commitdiff \| tree
2017-11-01	Aleksei Iupinov	Fix erroneous PME GPU "step" namings	commit \| commitdiff \| tree
2017-11-01	Mark Abraham	Improve handling of GPU IDs	commit \| commitdiff \| tree
2017-11-01	Aleksei Iupinov	Simplify PME GPU synchronization code	commit \| commitdiff \| tree
2017-10-31	Aleksei Iupinov	Reuse epbcXY logic	commit \| commitdiff \| tree
2017-10-31	Szilárd Páll	Fix nstlist increase warning print	commit \| commitdiff \| tree
2017-10-31	Szilárd Páll	Check CUDA available/compiled code compatibility	commit \| commitdiff \| tree
2017-10-30	Aleksei Iupinov	Fix reference mode build unused function warnings	commit \| commitdiff \| tree
2017-10-30	Berk Hess	Remove unused sign parameter from dih_angle()	commit \| commitdiff \| tree
2017-10-30	Roland Schulz	ArrayRef: Replace fromVector with subArray	commit \| commitdiff \| tree
2017-10-30	David van der Spoel	Added option -water tips3p to pdb2gmx.	commit \| commitdiff \| tree
2017-10-30	Aleksei Iupinov	Bring PME GPU/CUDA internal structure names to CamelCase	commit \| commitdiff \| tree
2017-10-27	Mark Abraham	Fix hw detection more	commit \| commitdiff \| tree
2017-10-26	Mark Abraham	New quote	commit \| commitdiff \| tree
2017-10-20	Mark Abraham	Clarify docs for Fmax in EM	commit \| commitdiff \| tree
2017-10-20	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-10-20	Berk Hess	Fix warning for confout with periodic molecules	commit \| commitdiff \| tree
2017-10-16	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-10-15	Berk Hess	Improve vsite parallel checking	commit \| commitdiff \| tree
2017-10-13	Aleksei Iupinov	Relax PME spline computation tolerance in double precision...	commit \| commitdiff \| tree
2017-10-13	Mark Abraham	Update tests for C++11 compiler and standard library	commit \| commitdiff \| tree
2017-10-13	Roland Schulz	Specialize ArrayRef for SimdReal	commit \| commitdiff \| tree
2017-10-11	Mark Abraham	Introduced header for communication to/from PME ranks	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	Fix clang warnings for PME CUDA kernels	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	Relax PME solving test complex grid tolerance	commit \| commitdiff \| tree
2017-10-11	Mark Abraham	Cleaned up ewaldcoeff for PME-only ranks	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME solving - CUDA kernel + unit tests	commit \| commitdiff \| tree
2017-10-11	Paul Bauer	Change to modules for build of web documentation	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME force gathering - CUDA kernel + unit tests	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME spline+spread CUDA kernel and unit tests	commit \| commitdiff \| tree
2017-10-11	Mark Abraham	Use clang-5 in Jenkins	commit \| commitdiff \| tree
2017-10-11	Berk Hess	Disable ARM Neon native rsqrt iteration	commit \| commitdiff \| tree
2017-10-09	Aleksei Iupinov	PME GPU/CUDA data framework.	commit \| commitdiff \| tree
2017-10-07	Mark Abraham	Tell cppcheck that .cpp and .cu files are c++	commit \| commitdiff \| tree
2017-10-07	Roland Schulz	Refactor load+SimdLoad*ProxyInternal to reduce duplication	commit \| commitdiff \| tree
2017-10-06	Berk Hess	Add SIMD intrinsics version of simple update	commit \| commitdiff \| tree
2017-10-06	Berk Hess	Improve PaddedRVecVector resizing	commit \| commitdiff \| tree
2017-10-06	Aleksei Iupinov	Add timing accumulation capability into GpuRegionTimer	commit \| commitdiff \| tree
2017-10-05	Berk Hess	Make SIMD ambiguous test work with float/double only	commit \| commitdiff \| tree
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
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