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GROMACS 2018 first beta release
2017-11-28 Mark AbrahamGROMACS 2018 first beta release
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2017-11-24 Mark AbrahamUpdate developer guide
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2017-11-24 Mark AbrahamActivate PME on GPUs
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2017-11-24 Mark AbrahamSeparate management of GPU contexts from modules
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2017-11-24 Mark AbrahamAdd PME integration test
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2017-11-24 Mark AbrahamExtend task assignment code
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2017-11-21 Mark AbrahamUse much less PaddedRVecVector and more ArrayRef of...
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2017-11-21 Mark AbrahamSupport pinning in HostAllocator
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2017-11-20 Mark AbrahamFix nightly matrix config
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2017-11-19 Mark AbrahamFix FindCUDA.cmake for -Wundef
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2017-11-17 Mark AbrahamUse HostAllocationPolicy for chargeA
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2017-11-17 Mark AbrahamAdd checking function for whether a buffer is pinned
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2017-11-17 Mark AbrahamImprove handling of PME GPU force buffer
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2017-11-10 Mark AbrahamImport cmake Modules/FindCUDA.cmake
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2017-11-09 Mark AbrahamPrepared t_mdatoms for using vector
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2017-11-09 Mark AbrahamIntroduce HostAllocationPolicy
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2017-11-07 Mark AbrahamReform gmx_pme_pp alloc and use vector
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2017-11-07 Mark AbrahamIntroduce gmxopencl.h
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2017-11-07 Mark AbrahamTest clang on ARM in nightly matrix
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2017-11-07 Mark AbrahamImprove PME includes
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2017-11-03 Mark AbrahamMerge "Merge branch release-2016"
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2017-11-02 Mark AbrahamMerge branch release-2016
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2017-11-01 Mark AbrahamFix thread-MPI rank choice for orientation restraints
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2017-11-01 Mark AbrahamImprove handling of GPU IDs
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2017-10-31 Mark AbrahamUpdate treatment of GPU compatibility data structure
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2017-10-30 Mark AbrahamFix and update hw_info
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2017-10-27 Mark AbrahamFix hw detection more
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2017-10-26 Mark AbrahamMake release matrix work again
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2017-10-26 Mark AbrahamNew quote
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2017-10-25 Mark AbrahamTeach the copyright checker about template.cpp
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2017-10-20 Mark AbrahamClarify docs for Fmax in EM
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2017-10-20 Mark AbrahamMerge branch release-2016
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2017-10-16 Mark AbrahamMerge branch release-2016
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2017-10-13 Mark AbrahamUpdate tests for C++11 compiler and standard library
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2017-10-13 Mark AbrahamFix cpuinfo on clang + non-x86
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2017-10-11 Mark AbrahamIntroduced header for communication to/from PME ranks
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2017-10-11 Mark AbrahamCleaned up ewaldcoeff for PME-only ranks
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2017-10-11 Mark AbrahamUse clang-5 in Jenkins
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2017-10-07 Mark AbrahamTell cppcheck that .cpp and .cu files are c++
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2017-10-05 Mark AbrahamContinue removing -nb gpu_cpu
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2017-10-04 Mark AbrahamEnable group-scheme SIMD with GMX_SIMD=AVX2_128
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2017-10-03 Mark AbrahamIntroduce and use AlignedAllocationPolicy
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2017-09-19 Mark AbrahamUpdate testing matrices to test with (latest) icc-18
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2017-09-17 Mark AbrahamMerge branch release-2016
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2017-09-15 Mark AbrahamExpress intent of matrix release build types explicitly
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2017-09-15 Mark AbrahamBumped patch version for next release
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2017-09-15 Mark AbrahamVersion 2016.4
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2017-09-14 Mark AbrahamForm taskassignment module
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2017-09-14 Mark AbrahamFix compat module definition
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2017-09-12 Mark AbrahamMerge branch release-2016
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2017-09-07 Mark AbrahamIntroduce type-safe GPU emulation variables
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2017-09-07 Mark AbrahamEnable group-scheme SIMD kernels on recent AVX extensions
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2017-09-06 Mark AbrahamPrepare Verlet scheme later in runner
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2017-09-05 Mark AbrahamFixes for Solaris
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2017-09-05 Mark AbrahamFix use of GPU information for thread-MPI setup
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2017-09-03 Mark AbrahamFix compiler flags for using MKL
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2017-09-03 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-08-25 Mark AbrahamFix flat-bottomed position restraints with multiple...
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2017-08-23 Mark AbrahamStopped checkpoint influencing parallelism setup
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2017-08-22 Mark AbrahamRun GPU detection even for mdrun -nb cpu
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2017-08-22 Mark AbrahamFixed thread-MPI with non-default -npme
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2017-08-22 Mark AbrahamFix missing declaration of GMX_UNUSED_VALUE
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2017-08-22 Mark AbrahamMerge branch release-2016
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2017-08-21 Mark AbrahamMoved increase_nstlist() to nbnxn_tuning.h
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2017-08-21 Mark AbrahamFix compilation issues with ARM SIMD
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2017-08-17 Mark AbrahamReplace consistency checking with assertion
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2017-08-16 Mark AbrahamParse user-supplied GPU task assignment only when needed
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2017-08-16 Mark AbrahamRemove duplicate GPU non-usage hint
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2017-08-16 Mark AbrahamMoved logging functionality into GPU usage report
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2017-08-15 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-08-15 Mark AbrahamFix value of Ewald shift
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2017-08-10 Mark AbrahamClarify data flow in GPU task assignment
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2017-08-07 Mark AbrahamFix include dependency for getenv
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2017-08-07 Mark AbrahamSimplified handling of GPU device IDs
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2017-08-06 Mark AbrahamSimplify resource-division efficiency check
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2017-08-06 Mark AbrahamSplit printhardware from detecthardware
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2017-08-06 Mark AbrahamDecouple task assignment from task execution
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2017-08-06 Mark AbrahamRemoved unused host-side allocation code
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2017-08-04 Mark AbrahamStop using hwinfo_g for reporting code
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2017-08-03 Mark AbrahamRemoved unused include statements
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2017-08-01 Mark AbrahamIntroduced Mdrunner high-level class
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2017-07-27 Mark AbrahamEnhance cmake and releng handling of GMX_USE_RDTSCP
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2017-07-24 Mark AbrahamSeparated responsibility for consistency checking
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2017-07-24 Mark AbrahamRemove unnecessary GPU checking code
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2017-07-20 Mark AbrahamCleaned up bUseGpu in runner
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2017-07-20 Mark AbrahamStop duplicate printing of detected GPUs
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2017-07-20 Mark AbrahamFix use of GMX_SIMD in own-fftw build
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2017-07-19 Mark AbrahamMade post-submit config to test clang+openmp.
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2017-07-19 Mark AbrahamImprove CMake implementation for GMX_SIMD
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2017-07-18 Mark AbrahamConverted some const pointers into const references...
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2017-07-18 Mark AbrahamEliminated pick_nbnxn_resources
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2017-07-14 Mark AbrahamImplemented grompp -po for options-style mdp handling
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2017-07-14 Mark AbrahamClean up cmake build host detection
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2017-07-13 Mark AbrahamClean up gmx_mdrun()
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2017-07-13 Mark AbrahamCleaned up mdrunner_start_threads
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2017-07-13 Mark AbrahamMore updates to testing matrix
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2017-07-07 Mark AbrahamRefactor error handling in init_gpu
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2017-07-06 Mark AbrahamSimplify gmx_gpu_opt_t
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2017-07-04 Mark AbrahamClean up pick_nbnxn_resources
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2017-07-01 Mark AbrahamCleaned up GPU emulation logic
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The ultimate molecular dynamics simulation package