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Use std::vector for checkpoint outputfiles
2018-02-14 Mark AbrahamUse std::vector for checkpoint outputfiles
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2018-02-13 Mark AbrahamSeparate multisim from commrec
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2018-02-12 Mark AbrahamRemove commrec from hardware detection
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2018-02-12 Mark AbrahamAnalyse threads on node before setting affinities
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2018-02-12 Mark AbrahamFix reading old force field files
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2018-02-09 Mark AbrahamMerge branch release-2018
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2018-02-08 Mark AbrahamUse more portable python shebangs
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2018-02-08 Mark AbrahamMerge "Merge branch release-2016 into release-2018...
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2018-02-08 Mark AbrahamMerge branch release-2016 into release-2018
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2018-02-08 Mark AbrahamMerge "Merge branch 'release-2018' into master"
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2018-02-06 Mark AbrahamPrevent log file energy average printing dividing by...
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2018-02-06 Mark AbrahamUse isfinite unambiguously
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2018-01-30 Mark AbrahamReplace macros for multi-sim
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2018-01-30 Mark AbrahamUpdate GoogleTest to 1.8.0
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2018-01-27 Mark AbrahamRemove unused declaration
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2018-01-25 Mark AbrahamRemove unused fields of t_commrec
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2018-01-25 Mark AbrahamReduced includes of common headers in headers
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2018-01-25 Mark AbrahamRemoved mdrun -multi
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2018-01-24 Mark AbrahamChange multi-sim tests to use -multidir
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2018-01-24 Mark AbrahamRemove gmx_inline
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2018-01-24 Mark AbrahamTeach include sorter to ignore cmake-test files
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2018-01-24 Mark AbrahamMove Windows icc config to post-submit testing
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2018-01-24 Mark AbrahamReplace gmx_bool with bool in bitmask functions
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2018-01-23 Mark AbrahamRemove support for implicit solvation
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2018-01-23 Mark AbrahamRemove topology support for implicit solvation
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2018-01-23 Mark AbrahamPreliminary cleanup before removing ifdef cplusplus
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2018-01-19 Mark AbrahamMerge "Merge branch 'release-2018' into master"
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2018-01-19 Mark AbrahamAdd dev-guide docs for automatic update of regressiontests
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2018-01-19 Mark AbrahamFixes for issues found by clang 6
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2018-01-18 Mark AbrahamBump version numbers for 2019 development
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2018-01-18 Mark AbrahamRemove support for BlueGene
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2018-01-18 Mark AbrahamPort thread-MPI to compile as C++
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2018-01-16 Mark AbrahamMerge "Merge release-2018 into master"
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2018-01-11 Mark AbrahamRemove contrib directory
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2018-01-11 Mark AbrahamBumped version for next patch release
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2018-01-11 Mark AbrahamVersion 2018
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2018-01-11 Mark AbrahamAnnounce in user log files that features are deprecated.
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2018-01-10 Mark AbrahamFix automated GPU ID assignment
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2018-01-10 Mark AbrahamAdd release notes to source repo
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2018-01-10 Mark AbrahamHandle erroneous command line args better
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2018-01-09 Mark AbrahamDeactivate autoselect of PME on GPU on separate rank
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2018-01-09 Mark AbrahamClean up user guide for release
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2018-01-09 Mark AbrahamMerge branch release-2016 into release-2018
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2018-01-05 Mark AbrahamRemove FindCUDA from source tarball
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2018-01-04 Mark AbrahamMerge branch release-2018
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2018-01-04 Mark AbrahamAdd test config of GPU build on slave without GPU
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2018-01-03 Mark AbrahamAdd cool quote
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2018-01-03 Mark AbrahamFix duplicate warning
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2018-01-02 Mark AbrahamFix membed by calling the proper mtop finalization...
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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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The ultimate molecular dynamics simulation package