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2018-02-08	Aleksei Iupinov	Always run the essential dynamics tests	commit \| commitdiff \| tree
2018-02-08	Aleksei Iupinov	Merge branch 'release-2018' into master	commit \| commitdiff \| tree
2018-02-06	Aleksei Iupinov	Remove unnecessary includes from domdec.h	commit \| commitdiff \| tree
2018-02-06	Aleksei Iupinov	Zero unused values to silence the warning	commit \| commitdiff \| tree
2018-02-06	Mark Abraham	Use isfinite unambiguously	commit \| commitdiff \| tree
2018-02-05	Aleksei Iupinov	Make ndx files optional in SimulationRunner	commit \| commitdiff \| tree
2018-02-05	Aleksei Iupinov	Remove mdpInputFileName_ from SimulationRunner, per...	commit \| commitdiff \| tree
2018-02-02	Aleksei Iupinov	Fix input MDP contents for swap and IMD tests	commit \| commitdiff \| tree
2018-02-01	Aleksei Iupinov	Check for GTEST_IS_THREADSAFE being defined	commit \| commitdiff \| tree
2018-01-30	Mark Abraham	Update GoogleTest to 1.8.0	commit \| commitdiff \| tree
2018-01-30	Berk Hess	Removed unused flag PCA_CAN_READ_NODE	commit \| commitdiff \| tree
2018-01-24	Aleksei Iupinov	Remove unused fields per TODO	commit \| commitdiff \| tree
2018-01-23	Aleksei Iupinov	Test the mixed mode PME with walls and box scaling	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Move the temporary file MPI workaround into the base...	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Merge branch 'release-2018' into master	commit \| commitdiff \| tree
2018-01-18	Mark Abraham	Port thread-MPI to compile as C++	commit \| commitdiff \| tree
2018-01-17	Aleksei Iupinov	Merge branch 'release-2018' into master	commit \| commitdiff \| tree
2018-01-16	Aleksei Iupinov	Always write the input MDP file for testing just before...	commit \| commitdiff \| tree
2018-01-11	Aleksei Iupinov	Move OctaneSandwich.mdp and spc2-IMD.mdp into strings	commit \| commitdiff \| tree
2018-01-11	Aleksei Iupinov	Remove unused alanine_vsite.mdp	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Remove contrib directory	commit \| commitdiff \| tree
2018-01-03	Erik Lindahl	Remove duplications in GMXLIB search paths	commit \| commitdiff \| tree
2017-12-27	Mark Abraham	Silence POWER8 compiler warnings	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Version 5.1.5	commit \| commitdiff \| tree
2017-12-20	Aleksei Iupinov	Set GMX_GPU_AUTO to FALSE with GMX_GPU defined	commit \| commitdiff \| tree
2017-12-11	Mark Abraham	Consume any error produced during GPU detection	commit \| commitdiff \| tree
2017-12-08	Berk Hess	Add Viveca Lindahl as contributor	commit \| commitdiff \| tree
2017-12-03	Berk Hess	Tighten B-spline moduli single precision test tolerance...	commit \| commitdiff \| tree
2017-11-28	Aleksei Iupinov	Replace of pmeGPU variable name with pmeGpu	commit \| commitdiff \| tree
2017-11-28	Szilárd Páll	Separate local GPU NB wait from emulation launch	commit \| commitdiff \| tree
2017-11-28	Szilárd Páll	Refactor GPU rolling prune launch	commit \| commitdiff \| tree
2017-11-27	Aleksei Iupinov	Add tests for PME tuning and fix mixed PME mode with...	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Destroy PME GPU context	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Do not call mixed CPU+GPU PME mode "Hybrid"	commit \| commitdiff \| tree
2017-11-24	Berk Hess	Disabled CUDA timings	commit \| commitdiff \| tree
2017-11-24	Mark Abraham	Separate management of GPU contexts from modules	commit \| commitdiff \| tree
2017-11-23	Szilárd Páll	Move GPU FFT/gather launch after GPU nonbondeds	commit \| commitdiff \| tree
2017-11-21	Aleksei Iupinov	Fix CUDA release build warning	commit \| commitdiff \| tree
2017-11-21	Aleksei Iupinov	Fix pinned memory status checker tests	commit \| commitdiff \| tree
2017-11-20	Berk Hess	Prevent PME tuning excessive grid scaling	commit \| commitdiff \| tree
2017-11-19	Mark Abraham	Fix FindCUDA.cmake for -Wundef	commit \| commitdiff \| tree
2017-11-17	Aleksei Iupinov	Make gpu_utils-test build with GMX_CLANG_CUDA	commit \| commitdiff \| tree
2017-10-31	Mark Abraham	Update treatment of GPU compatibility data structure	commit \| commitdiff \| tree
2017-10-31	Szilárd Páll	Fix nstlist increase warning print	commit \| commitdiff \| tree
2017-10-30	Aleksei Iupinov	Use new/delete for gmx_pme_t	commit \| commitdiff \| tree
2017-10-30	Aleksei Iupinov	Simplify PME data handling in runner	commit \| commitdiff \| tree
2017-10-29	Aleksei Iupinov	Make PME tuning logic more readable	commit \| commitdiff \| tree
2017-10-27	Aleksei Iupinov	Replace a few asserts with GMX_ASSERT's	commit \| commitdiff \| tree
2017-10-27	Aleksei Iupinov	Remove defunct PME initialization error code return	commit \| commitdiff \| tree
2017-10-26	Mark Abraham	Make release matrix work again	commit \| commitdiff \| tree
2017-10-24	Aleksei Iupinov	Remove duplicate/outdated function declaration	commit \| commitdiff \| tree
2017-10-23	Aleksei Iupinov	Correct the page allocator description	commit \| commitdiff \| tree
2017-10-23	Szilárd Páll	Eliminate some OCL/CUDA code code duplication	commit \| commitdiff \| tree
2017-10-22	Aleksei Iupinov	Change PME GPU gather reduction argument from boolean...	commit \| commitdiff \| tree
2017-10-21	Aleksei Iupinov	Add calls to the PME GPU stages	commit \| commitdiff \| tree
2017-10-19	Szilárd Páll	Remove unised OpenCL debugging helpers	commit \| commitdiff \| tree
2017-10-12	Aleksei Iupinov	Remove useless extern CUDA texture reference declarations...	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	CUDA 9/Volta support for PME	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	Drop NB_ from GMX_CUDA_NB_SINGLE_COMPILATION_UNIT cmake...	commit \| commitdiff \| tree
2017-10-09	Aleksei Iupinov	Remove some unnecessary includes from PME	commit \| commitdiff \| tree
2017-10-04	Aleksei Iupinov	Remove GPU timing functions superseded by GpuRegionTimer	commit \| commitdiff \| tree
2017-10-03	Szilárd Páll	Move Ewald splitting-related code to ewald-utils	commit \| commitdiff \| tree
2017-10-03	Aleksei Iupinov	Bring CUDA texture getters documentation up-to-date	commit \| commitdiff \| tree
2017-10-03	Aleksei Iupinov	Add WinAPI page size query for allocator purposes	commit \| commitdiff \| tree
2017-09-22	Aleksei Iupinov	Template the CUDA texture setup code on raw value type T	commit \| commitdiff \| tree
2017-09-21	Aleksei Iupinov	Eliminate unused Coulomb correction table size coulomb_tab_size	commit \| commitdiff \| tree
2017-09-21	Aleksei Iupinov	Eliminate duplicate CUDA texture setup code	commit \| commitdiff \| tree
2017-09-19	Roland Schulz	ICC: Disable include path warning	commit \| commitdiff \| tree
2017-09-19	Mark Abraham	Update testing matrices to test with (latest) icc-18	commit \| commitdiff \| tree
2017-09-12	Aleksei Iupinov	Prevent reference XML reader segfault on nullptr error...	commit \| commitdiff \| tree
2017-09-12	Berk Hess	Fix exception in SIMD LJ PME solve	commit \| commitdiff \| tree
2017-09-08	Roland Schulz	Fix compiler warning	commit \| commitdiff \| tree
2017-09-04	Aleksei Iupinov	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree
2017-08-31	Aleksei Iupinov	Bring back space lost in commit e43e83bf	commit \| commitdiff \| tree
2017-08-29	Aleksei Iupinov	Allow passing optional width argument into CUDA shuffle...	commit \| commitdiff \| tree
2017-08-28	Berk Hess	Avoid bonded forces loops/timers on inputs with no...	commit \| commitdiff \| tree
2017-08-21	Aleksei Iupinov	PME solving tests	commit \| commitdiff \| tree
2017-08-17	Aleksei Iupinov	Merge "Merge branch release-5-1 into release-2016"...	commit \| commitdiff \| tree
2017-07-06	Mark Abraham	Simplify gmx_gpu_opt_t	commit \| commitdiff \| tree
2017-07-03	Berk Hess	Remove gmx_constexpr	commit \| commitdiff \| tree
2017-06-30	Aleksei Iupinov	Remove outdated cmake nvcc logic	commit \| commitdiff \| tree
2017-06-30	M. Eric Irrgang	Mark unmodified input parameter as const.	commit \| commitdiff \| tree
2017-06-07	Vedran Miletić	Expand Performance section of the user guide	commit \| commitdiff \| tree
2017-06-07	Szilárd Páll	Suppress sm_2x deprecation warning with CUDA 8.0	commit \| commitdiff \| tree
2017-04-18	Berk Hess	Suppress two compiler warnings	commit \| commitdiff \| tree
2017-04-06	Teemu Murtola	Fix memory access issues in gmx solvate	commit \| commitdiff \| tree
2017-04-06	Teemu Murtola	Consistent naming for gmxana tests	commit \| commitdiff \| tree
2017-04-04	Teemu Murtola	Utility functions for formatting string values	commit \| commitdiff \| tree
2017-03-29	Mark Abraham	Fix parameter description for dihedral_restraints	commit \| commitdiff \| tree
2017-03-29	Szilárd Páll	Add CUDA util function for constant loads	commit \| commitdiff \| tree
2017-03-25	Szilárd Páll	Conditional tweak in the nonbonded GPU kernels	commit \| commitdiff \| tree
2017-03-17	Aleksei Iupinov	Fix dereferencing nullptr in PME solve work destructor	commit \| commitdiff \| tree
2017-03-09	Mark Abraham	Refactor GPU selection handling	commit \| commitdiff \| tree
2017-02-21	Aleksei Iupinov	Remove unused function cu_synchstream_atdat()	commit \| commitdiff \| tree
2017-02-09	Aleksei Iupinov	Fix typo (Dihedarl -> Dihedral)	commit \| commitdiff \| tree
2017-02-02	Berk Hess	Fix array of complex in cross_corr	commit \| commitdiff \| tree
2017-01-19	Aleksei Iupinov	Simplify gmx_count_gpu_dev_unique()	commit \| commitdiff \| tree
2017-01-05	Aleksei Iupinov	Fix compilation with CMAKE_CXX_FLAGS="-Wall -Werror"	commit \| commitdiff \| tree
2016-12-22	Aleksei Iupinov	Remove unused member thread_one from the PME spline...	commit \| commitdiff \| tree
2016-12-05	Aleksei Iupinov	Stop including parallel_3dfft.h in headers	commit \| commitdiff \| tree
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