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2018-05-31	Aleksei Iupinov	Merge pme.cu into pme-gpu-internal.cpp	commit \| commitdiff \| tree
2018-05-31	Aleksei Iupinov	PME OpenCL 3D FFT transform is implemented, using clFFT	commit \| commitdiff \| tree
2018-05-31	Aleksei Iupinov	Move pme-timings.cu to pme-gpu-timings.cpp	commit \| commitdiff \| tree
2018-05-31	Aleksei Iupinov	Prefer linking to system clFFT rather than bundled one	commit \| commitdiff \| tree
2018-05-31	Aleksei Iupinov	Move the PmeGpuSpecific structure into pme-gpu-types...	commit \| commitdiff \| tree
2018-05-31	Aleksei Iupinov	Added the bundled clFFT into OpenCL builds	commit \| commitdiff \| tree
2018-05-31	Aleksei Iupinov	Add GpuEventSynchronizer class	commit \| commitdiff \| tree
2018-05-31	Aleksei Iupinov	Gather the PME GPU constants/macros in a single header	commit \| commitdiff \| tree
2018-05-30	Aleksei Iupinov	Make PME GPU structures use DeviceBuffer	commit \| commitdiff \| tree
2018-05-28	Aleksei Iupinov	Support persistent device context-derived data in PME...	commit \| commitdiff \| tree
2018-05-18	Aleksei Iupinov	prepareGpuKernelArguments() and launchGpuKernel() are...	commit \| commitdiff \| tree
2018-05-08	Aleksei Iupinov	Import clFFT library into the Gromacs source	commit \| commitdiff \| tree
2018-05-04	Aleksei Iupinov	Add clearDeviceBufferAsync() for CUDA/OpenCL	commit \| commitdiff \| tree
2018-05-03	Aleksei Iupinov	Copy missing GPU NB host deallocations from OpenCL...	commit \| commitdiff \| tree
2018-05-03	Aleksei Iupinov	replace cu_copy_* calls with DeviceBuffer functions...	commit \| commitdiff \| tree
2018-05-02	Aleksei Iupinov	Rename OpenCL host memory routines to match the CUDA...	commit \| commitdiff \| tree
2018-04-27	Aleksei Iupinov	Make asize() a proper template function instead of...	commit \| commitdiff \| tree
2018-04-27	Aleksei Iupinov	Rename the asize variable to numAlignmentAtoms	commit \| commitdiff \| tree
2018-04-26	Aleksei Iupinov	Separate PME GPU host-only and host/device data structures	commit \| commitdiff \| tree
2018-04-26	Aleksei Iupinov	Add copyFromDeviceBuffer() CUDA/OpenCL implementations	commit \| commitdiff \| tree
2018-04-23	Aleksei Iupinov	Removed cu_realloc_buffered() in favor of reallocateDeviceBu...	commit \| commitdiff \| tree
2018-04-23	Aleksei Iupinov	DeviceBuffer headers are added	commit \| commitdiff \| tree
2018-04-12	Aleksei Iupinov	Make in-source OpenCL kernel path a per-module parameter	commit \| commitdiff \| tree
2018-04-12	Aleksei Iupinov	Remove CUDA_FUNC macros from many functions in PME GPU	commit \| commitdiff \| tree
2018-04-12	Aleksei Iupinov	Stop PME GPU code from compiling on non-CUDA builds	commit \| commitdiff \| tree
2018-04-10	Aleksei Iupinov	Prevent OpenCL timing memory leak	commit \| commitdiff \| tree
2018-03-20	Aleksei Iupinov	Clarify the mdrun GPU options docs	commit \| commitdiff \| tree
2018-03-16	Aleksei Iupinov	Add a basic TPI sanity test	commit \| commitdiff \| tree
2018-03-16	Aleksei Iupinov	Stop gmx_feenableexcept() from returning previous exception...	commit \| commitdiff \| tree
2018-03-16	Aleksei Iupinov	Restore the lost mc_temp check in grompp	commit \| commitdiff \| tree
2018-03-06	Aleksei Iupinov	Isolate PME GPU spline parameter indexing in inline...	commit \| commitdiff \| tree
2018-03-05	Aleksei Iupinov	Stop using custom FindOpenCL.cmake, per TODO	commit \| commitdiff \| tree
2018-03-05	Aleksei Iupinov	Correct the nbnxn_gpu_compile_kernels() docs	commit \| commitdiff \| tree
2018-03-02	Aleksei Iupinov	Make TPI use double precision exp	commit \| commitdiff \| tree
2018-02-27	Aleksei Iupinov	Merge branch 'release-2018'	commit \| commitdiff \| tree
2018-02-26	Aleksei Iupinov	Advice users on infinite output of TPI	commit \| commitdiff \| tree
2018-02-20	Aleksei Iupinov	Remove unused OpenCL debug buffer	commit \| commitdiff \| tree
2018-02-18	Aleksei Iupinov	Replace *_free_buffered calls by freeDeviceBuffer	commit \| commitdiff \| tree
2018-02-16	Aleksei Iupinov	Fix PME for large systems with Fermi GPUs	commit \| commitdiff \| tree
2018-02-15	Aleksei Iupinov	Update FFTW build to 3.3.7	commit \| commitdiff \| tree
2018-02-15	Aleksei Iupinov	Add freeDeviceBuffer GPU utility function	commit \| commitdiff \| tree
2018-02-15	Aleksei Iupinov	Add the missing comma in the quote	commit \| commitdiff \| tree
2018-02-14	Aleksei Iupinov	Replace the remaining EXPECT_DEATH with EXPECT_DEATH_IF_SUPP...	commit \| commitdiff \| tree
2018-02-14	Aleksei Iupinov	Add DeviceBuffer as a typedef for cl_mem/device ponter	commit \| commitdiff \| tree
2018-02-13	Aleksei Iupinov	Move GPU traits into separate headers	commit \| commitdiff \| tree
2018-02-12	Aleksei Iupinov	Fix the include guard	commit \| commitdiff \| tree
2018-02-09	Aleksei Iupinov	Revert "Enable debug FP exceptions without TPI, not...	commit \| commitdiff \| tree
2018-02-08	Aleksei Iupinov	Always run the essential dynamics tests	commit \| commitdiff \| tree
2018-02-08	Aleksei Iupinov	Enable debug FP exceptions without TPI, not with TPI	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	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
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