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First release candidate for version 2018
2017-12-30 Mark AbrahamFirst release candidate for version 2018
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2017-12-29 Mark AbrahamSeparate canDetectGpus and findGpus futher, and fix...
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2017-12-27 Mark AbrahamSilence POWER8 compiler warnings
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2017-12-22 Mark AbrahamMerge branch release-2016 into release-2018
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2017-12-21 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-12-21 Mark AbrahamBump minor version for theoretical new release
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2017-12-21 Mark AbrahamUpdate double-precision test configurations
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2017-12-21 Mark AbrahamVersion 5.1.5
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2017-12-20 Mark AbrahamUse new defaultRealTolerance() to stabilise some tests
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2017-12-20 Mark AbrahamMerge "Merge branch release-2016 into release-2018...
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2017-12-20 Mark AbrahamMerge branch release-2016 into release-2018
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2017-12-19 Mark AbrahamThird beta release of 2018
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2017-12-19 Mark AbrahamFix table tests and improve table construction
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2017-12-15 Mark AbrahamMake OpenCL implementation of gpu_utils tests conform
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2017-12-14 Mark AbrahamAvoid confusing message at end of non-dynamical runs
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2017-12-14 Mark AbrahamFix return values of frame-reading functions
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2017-12-14 Mark AbrahamMake AVX-512 CMake detction work
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2017-12-14 Mark AbrahamMerge "Merge branch release-2016 into release-2018...
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2017-12-12 Mark AbrahamImprove grompp missing-parameters error message
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2017-12-12 Mark AbrahamMerge branch release-2016 into release-2018
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2017-12-11 Mark AbrahamSecond beta release of 2018
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2017-12-11 Mark AbrahamLeave NVML use off by default
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2017-12-11 Mark AbrahamCheck for GPU detection support before detecting
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2017-12-11 Mark AbrahamConsume any error produced during GPU detection
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2017-12-11 Mark AbrahamAvoid signed-overflow warning with gcc 7
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2017-12-11 Mark AbrahamRemove SIMD shift operators
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2017-12-08 Mark AbrahamRefine ulp tolerances for some more ewald tests
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2017-12-05 Mark AbrahamFix mdrun -nb auto -pme auto when GPUs are absent
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2017-12-05 Mark AbrahamUpdate testing to include cmake 3.10.0
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2017-12-04 Mark AbrahamFix free_gpu
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2017-12-04 Mark AbrahamFix unused variables in CPU pruning kernels
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2017-12-04 Mark AbrahamMerge branch release-2016 into release-2018
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2017-12-03 Mark AbrahamFix fft5d pinning
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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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The ultimate molecular dynamics simulation package