alexxy/gromacs.git
2017-11-21 Mark AbrahamSupport pinning in HostAllocator
2017-11-21 Viveca LindahlAdd force correlation to AWH module
2017-11-21 Paul BauerFirst general additions to the documentation
2017-11-20 Viveca LindahlAdd reading and writing to AWH module
2017-11-20 Berk HessPrevent PME tuning excessive grid scaling
2017-11-20 Mark AbrahamFix nightly matrix config
2017-11-19 Berk HessAdd SIMD for AWH
2017-11-19 Viveca LindahlAdd AWH section to manual.
2017-11-19 Viveca LindahlAdd AWH biasing module + tests
2017-11-19 Mark AbrahamFix FindCUDA.cmake for -Wundef
2017-11-18 Magnus LundborgAdded Magnus Lundborg as contributor in the manual.
2017-11-18 Aleksei IupinovAsynchronous CUDA transfers are asserted to always...
2017-11-17 Mark AbrahamUse HostAllocationPolicy for chargeA
2017-11-17 Mark AbrahamAdd checking function for whether a buffer is pinned
2017-11-17 Mark AbrahamImprove handling of PME GPU force buffer
2017-11-17 Aleksei IupinovMake gpu_utils-test build with GMX_CLANG_CUDA
2017-11-16 Berk HessAlso print 1x1 pair-list setup to log
2017-11-15 Aleksei IupinovRename and expose "generic" GPU memory transfer functions
2017-11-12 Erik LindahlOnly issue FFT warning messages on changes
2017-11-10 Roland SchulzPME-gather: 4xN SIMD
2017-11-10 Mark AbrahamImport cmake Modules/FindCUDA.cmake
2017-11-10 Roland SchulzRename load1DualHsimd to loadU1DualHsimd
2017-11-10 Roland SchulzAVX: Improve load1DualHsimd
2017-11-10 Roland SchulzRevert "Use -mavx2 -mfma instead of -march with AVX2"
2017-11-09 Aleksei IupinovRename synchronous GPU transfer functions to match...
2017-11-09 Mark AbrahamPrepared t_mdatoms for using vector
2017-11-09 Mark AbrahamIntroduce HostAllocationPolicy
2017-11-09 Roland SchulzICC should use ZMM if code anyhow uses ZMM
2017-11-08 Roland SchulzFix scalar blend
2017-11-08 Magnus LundborgUpdate to TNG v 1.8.1
2017-11-07 Szilárd PállUse -mavx2 -mfma instead of -march with AVX2
2017-11-07 Mark AbrahamReform gmx_pme_pp alloc and use vector
2017-11-07 Mark AbrahamIntroduce gmxopencl.h
2017-11-07 Szilárd PállMerge common nbnxn CUDA/OpenCL GPU wait code-paths
2017-11-07 Mark AbrahamTest clang on ARM in nightly matrix
2017-11-07 Szilárd PállAdd wallcycle timer for the PME GPU F reduction
2017-11-07 Szilárd PállSplit off nbnxn GPU timing and staging reduction
2017-11-07 Mark AbrahamImprove PME includes
2017-11-07 Szilárd PállDeduplicate CUDA and OpenCL timer struct
2017-11-06 David van der... Fixed check for water in gen_vsite.cpp
2017-11-03 Mark AbrahamMerge "Merge branch release-2016"
2017-11-02 Berk HessFix Ekin at step 0 with COM removal
2017-11-02 David van der... New mdp input for electric fields.
2017-11-02 Aleksei IupinovReplace math.h by cmath includes in cpp files
2017-11-02 Mark AbrahamMerge branch release-2016
2017-11-02 Berk HessAdd missing Ewald correction for pme-user
2017-11-01 Paul BauerSmall change to LaTeX manual generation
2017-11-01 Mark AbrahamFix thread-MPI rank choice for orientation restraints
2017-11-01 Aleksei IupinovRemove unused PME GPU declarations
2017-11-01 Aleksei IupinovMove pme_gpu_finish_computation() documentation to...
2017-11-01 Paul BauerFixing missing references in web documentation
2017-11-01 Aleksei IupinovFix erroneous PME GPU "step" namings
2017-11-01 Mark AbrahamImprove handling of GPU IDs
2017-11-01 Aleksei IupinovSimplify PME GPU synchronization code
2017-10-31 Aleksei IupinovReuse epbcXY logic
2017-10-31 Szilárd PállFix nstlist increase warning print
2017-10-31 Szilárd PállCheck CUDA available/compiled code compatibility
2017-10-31 Mark AbrahamUpdate treatment of GPU compatibility data structure
2017-10-31 Szilárd PállFix nstlist increase warning print
2017-10-30 David van der... Fixed mdp output from electric field code.
2017-10-30 Aleksei IupinovFix reference mode build unused function warnings
2017-10-30 Berk HessRemove unused sign parameter from dih_angle()
2017-10-30 Roland SchulzArrayRef: Replace fromVector with subArray
2017-10-30 David van der... Added option -water tips3p to pdb2gmx.
2017-10-30 Aleksei IupinovBring PME GPU/CUDA internal structure names to CamelCase
2017-10-30 Mark AbrahamFix and update hw_info
2017-10-30 Aleksei IupinovUse new/delete for gmx_pme_t
2017-10-30 Aleksei IupinovSimplify PME data handling in runner
2017-10-29 Aleksei IupinovMake PME tuning logic more readable
2017-10-29 Berk HessRemove incorrect comment for CHARMM tips3p
2017-10-27 Aleksei IupinovRemove unused PME grid dump debug functions
2017-10-27 Mark AbrahamFix hw detection more
2017-10-27 Aleksei IupinovReplace a few asserts with GMX_ASSERT's
2017-10-27 Aleksei IupinovRemove defunct PME initialization error code return
2017-10-26 Mark AbrahamMake release matrix work again
2017-10-26 Szilárd PállReorganize PME GPU launch
2017-10-26 Mark AbrahamNew quote
2017-10-25 Mark AbrahamTeach the copyright checker about template.cpp
2017-10-24 Berk HessFix gmx check for tprs with different #atoms
2017-10-24 Aleksei IupinovRemove duplicate/outdated function declaration
2017-10-24 Aleksei IupinovMove commrec duty checking into simple getters
2017-10-23 Aleksei IupinovCorrect the page allocator description
2017-10-23 Szilárd PállEliminate some OCL/CUDA code code duplication
2017-10-23 Berk HessFix incorrect dV/dlambda for walls
2017-10-23 David van der... Split off the NMR related analyses from gmx energy.
2017-10-22 Aleksei IupinovChange PME GPU gather reduction argument from boolean...
2017-10-21 Berk HessMerge "Merge branch release-2016"
2017-10-21 Aleksei IupinovAdd calls to the PME GPU stages
2017-10-20 Mark AbrahamClarify docs for Fmax in EM
2017-10-20 Mark AbrahamMerge branch release-2016
2017-10-20 Berk HessFix warning for confout with periodic molecules
2017-10-19 Szilárd PállDisable OpenMP with clang 3.4 post-submit config
2017-10-19 Szilárd PállRemove unised OpenCL debugging helpers
2017-10-18 Berk HessMade CUDA PME texture reference conditional
2017-10-17 David van der... Fixed missing entries in nrnb arrays.
2017-10-16 Mark AbrahamMerge branch release-2016
2017-10-15 Berk HessImprove vsite parallel checking
2017-10-13 Aleksei IupinovRelax PME spline computation tolerance in double precis...
2017-10-13 Mark AbrahamUpdate tests for C++11 compiler and standard library
2017-10-13 Roland SchulzReplace all ConstArrayRef with ArrayRef<const T>
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