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2017-12-20	Aleksei Iupinov	Set GMX_GPU_AUTO to FALSE with GMX_GPU defined	commit \| commitdiff \| tree
2017-12-20	Aleksei Iupinov	Remove potentially wrong "per user request" note from...	commit \| commitdiff \| tree
2017-12-07	Aleksei Iupinov	Relaxed precision in spline interpolation tests	commit \| commitdiff \| tree
2017-12-06	Aleksei Iupinov	Provide dummy initialization to silence a warning	commit \| commitdiff \| tree
2017-12-05	Aleksei Iupinov	Do not accept unsupported combination "-pme cpu -pmefft...	commit \| commitdiff \| tree
2017-12-04	Aleksei Iupinov	Reformulate PME solving tests tolerances	commit \| commitdiff \| tree
2017-11-28	Aleksei Iupinov	Replace of pmeGPU variable name with pmeGpu	commit \| commitdiff \| tree
2017-11-27	Aleksei Iupinov	Do not force separate PME rank to recompute reciprocal...	commit \| commitdiff \| tree
2017-11-27	Aleksei Iupinov	Disable failing separate PME rank tests	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	Enable separate PME GPU rank	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Do not call mixed CPU+GPU PME mode "Hybrid"	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Activate mixed mode of PME on GPU	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Remove outdated (already implemented) pinning TODO	commit \| commitdiff \| tree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
2017-11-21	Aleksei Iupinov	Fix CUDA release build warning	commit \| commitdiff \| tree
2017-11-21	Aleksei Iupinov	Fix pinned memory status checker tests	commit \| commitdiff \| tree
2017-11-18	Aleksei Iupinov	Asynchronous CUDA transfers are asserted to always...	commit \| commitdiff \| tree
2017-11-17	Aleksei Iupinov	Make gpu_utils-test build with GMX_CLANG_CUDA	commit \| commitdiff \| tree
2017-11-15	Aleksei Iupinov	Rename and expose "generic" GPU memory transfer functions	commit \| commitdiff \| tree
2017-11-09	Aleksei Iupinov	Rename synchronous GPU transfer functions to match...	commit \| commitdiff \| tree
2017-11-02	Aleksei Iupinov	Replace math.h by cmath includes in cpp files	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	Aleksei Iupinov	Fix erroneous PME GPU "step" namings	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
2017-10-30	Aleksei Iupinov	Fix reference mode build unused function warnings	commit \| commitdiff \| tree
2017-10-30	Aleksei Iupinov	Bring PME GPU/CUDA internal structure names to CamelCase	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	Remove unused PME grid dump debug functions	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
2017-10-24	Aleksei Iupinov	Remove duplicate/outdated function declaration	commit \| commitdiff \| tree
2017-10-24	Aleksei Iupinov	Move commrec duty checking into simple getters	commit \| commitdiff \| tree
2017-10-23	Aleksei Iupinov	Correct the page allocator description	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
2017-10-13	Aleksei Iupinov	Relax PME spline computation tolerance in double precision...	commit \| commitdiff \| tree
2017-10-12	Aleksei Iupinov	Remove useless extern CUDA texture reference declarations...	commit \| commitdiff \| tree
2017-10-12	Aleksei Iupinov	Revert "Drop NB_ from GMX_CUDA_NB_SINGLE_COMPILATION_UNIT...	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	Aleksei Iupinov	CUDA 9/Volta support for PME	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME solving - CUDA kernel + unit tests	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME force gathering - CUDA kernel + unit tests	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	Drop NB_ from GMX_CUDA_NB_SINGLE_COMPILATION_UNIT cmake...	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME spline+spread CUDA kernel and unit tests	commit \| commitdiff \| tree
2017-10-09	Aleksei Iupinov	Remove some unnecessary includes from PME	commit \| commitdiff \| tree
2017-10-09	Aleksei Iupinov	PME GPU/CUDA data framework.	commit \| commitdiff \| tree
2017-10-06	Aleksei Iupinov	Add timing accumulation capability into GpuRegionTimer	commit \| commitdiff \| tree
2017-10-04	Aleksei Iupinov	Remove GPU timing functions superseded by GpuRegionTimer	commit \| commitdiff \| tree
2017-10-04	Aleksei Iupinov	Add GpuRegionTimer class	commit \| commitdiff \| tree
2017-10-03	Aleksei Iupinov	Bring CUDA texture getters documentation up-to-date	commit \| commitdiff \| tree
2017-10-03	Aleksei Iupinov	Template/move CUDA texture cleanup code from NB CUDA...	commit \| commitdiff \| tree
2017-10-03	Aleksei Iupinov	Add WinAPI page size query for allocator purposes	commit \| commitdiff \| tree
2017-09-26	Aleksei Iupinov	Move CUDA texture setup code from NB CUDA module to...	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
2017-09-18	Aleksei Iupinov	Skip GPU reallocation of an empty non-local pairlist	commit \| commitdiff \| tree
2017-09-14	Aleksei Iupinov	Fix non-SIMD build failing	commit \| commitdiff \| tree
2017-09-12	Aleksei Iupinov	Prevent reference XML reader segfault on nullptr error...	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	Remove leftover function declaration	commit \| commitdiff \| tree
2017-08-29	Aleksei Iupinov	Fix typo	commit \| commitdiff \| tree
2017-08-29	Aleksei Iupinov	Allow passing optional width argument into CUDA shuffle...	commit \| commitdiff \| tree
2017-08-29	Aleksei Iupinov	Adjust PME LJ solver test input coefficient	commit \| commitdiff \| tree
2017-08-22	Aleksei Iupinov	Separate PME spread and gather wallcycle counters	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
2017-06-30	Aleksei Iupinov	Remove outdated cmake nvcc logic	commit \| commitdiff \| tree
2017-06-12	Aleksei Iupinov	Store a physical node communicator in t_commrec	commit \| commitdiff \| tree
2017-03-17	Aleksei Iupinov	Fix dereferencing nullptr in PME solve work destructor	commit \| commitdiff \| tree
2017-03-03	Aleksei Iupinov	Remove outdated CUDA version check	commit \| commitdiff \| tree
2017-02-21	Aleksei Iupinov	Remove unused function cu_synchstream_atdat()	commit \| commitdiff \| tree
2017-02-09	Aleksei Iupinov	Add initialization to dvdlambda in bonded forces tests	commit \| commitdiff \| tree
2017-02-09	Aleksei Iupinov	Fix typo (Dihedarl -> Dihedral)	commit \| commitdiff \| tree
2017-02-08	Aleksei Iupinov	PME force gathering tests	commit \| commitdiff \| tree
2017-02-08	Aleksei Iupinov	Fix invalid triclinic box in the PME test data	commit \| commitdiff \| tree
2017-01-24	Aleksei Iupinov	PME spline computation and charge spreading tests	commit \| commitdiff \| tree
2017-01-24	Aleksei Iupinov	Add const qualifier to some PME spread arguments	commit \| commitdiff \| tree
2017-01-19	Aleksei Iupinov	Simplify gmx_count_gpu_dev_unique()	commit \| commitdiff \| tree
2017-01-19	Aleksei Iupinov	PME B-Spline moduli computation unit test	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
2016-12-01	Aleksei Iupinov	Move GPU assignment functions into a separate file	commit \| commitdiff \| tree
2016-11-21	Aleksei Iupinov	Move hardcoded PME grid indexing constants into header	commit \| commitdiff \| tree
2016-11-01	Aleksei Iupinov	Remove imatrix type and related unused/erroneous code	commit \| commitdiff \| tree
2016-10-24	Aleksei Iupinov	Treat CUDA files as C++ during cppcheck	commit \| commitdiff \| tree
2016-10-10	Aleksei Iupinov	Fix trivial PME memory leaks	commit \| commitdiff \| tree
2016-09-15	Aleksei Iupinov	Move the PME Ewald coefficients to the PME structure	commit \| commitdiff \| tree
2016-09-10	Aleksei Iupinov	Fix PME data destructor not being called	commit \| commitdiff \| tree

The ultimate molecular dynamics simulation package

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