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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	Aleksei Iupinov	Only setup Ewald in the generic group kernel if it...	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	Don't print impossible CUDA version numbers in absence...	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
2018-01-24	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
2018-01-23	Aleksei Iupinov	Test PME CPU/GPU with walls and box scaling	commit \| commitdiff \| tree
2018-01-23	Aleksei Iupinov	Wrap the PME testing loop in a method for extensibility	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Add a death test for the duplicate inputrec keys checking	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Rename class BiasReader to struct BiasOutputSetup	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	Make the reference data variables local in GetIrTest	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Merge branch 'release-2018' into master	commit \| commitdiff \| tree
2018-01-18	Aleksei Iupinov	Got rid of manual memory management in the PME overlap...	commit \| commitdiff \| tree
2018-01-18	Aleksei Iupinov	Re-enable multi-rank PME tests (with the file race...	commit \| commitdiff \| tree
2018-01-17	Aleksei Iupinov	Fix box scaling in PME mixed mode	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
2018-01-10	Aleksei Iupinov	Do not print PME counter breakdown if it's empty	commit \| commitdiff \| tree
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
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