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Improve CUDA codegen flags
2021-02-12 Mark AbrahamImprove CUDA codegen flags
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2021-02-09 Mark AbrahamRemove tree-reduce algorithm
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2021-02-06 Mark AbrahamAdd style code for function static variables
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2021-02-05 Mark AbrahamRemove VMX SIMD
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2021-02-04 Mark AbrahamRemove support for ARMv7 and NEON
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2021-02-04 Mark AbrahamEnsure no UB in writing forces
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2021-02-03 Mark AbrahamFix test of not_null
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2021-02-03 Mark AbrahamRemove support for Intel classic compiler
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2021-02-02 Mark AbrahamRemove support for Fujitsu Sparc64 HPC-ACE
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2021-02-01 Mark AbrahamRemove x86 MIC support
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2021-02-01 Mark AbrahamReplace gmx::Mutex with std::mutex
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2021-01-31 Mark AbrahamRequire MPI 2.0
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2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr
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2021-01-29 Mark AbrahamMerge branch release-2021
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2021-01-27 Mark AbrahamTest python 3.9.1
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2021-01-26 Mark AbrahamFix default for xpm2gmx tick-mark spacings
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2021-01-26 Mark AbrahamStop installing NB-LIB argon-forces-integration binary
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2021-01-25 Mark AbrahamUse ctest better to run NB-LIB sample code as a test
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2021-01-25 Mark AbrahamLog progress from gmx msd better
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2021-01-21 Mark AbrahamEnsure residue name used by pdb2gmx matches rtp name
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2021-01-21 Mark AbrahamSuggest a workaround for pulling with -deffnm
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2021-01-20 Mark AbrahamDescribe the configured precision correctly for mdrun
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2021-01-20 Mark AbrahamFix PaddedVector move constructor
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2021-01-20 Mark AbrahamReport hwloc 1.x deprecation only when found
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2021-01-19 Mark AbrahamDeprecate mdrun -deffnm
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2021-01-11 Mark AbrahamRemove mdrun-only build configuration
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2020-12-23 Mark AbrahamDeprecate .pdo file reading
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2020-12-18 Mark AbrahamMerge branch release-2021
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2020-12-17 Mark AbrahamUpdate CI image to OneAPI 2021.1.1, add ICC tests.
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2020-12-15 Mark AbrahamUpdate deprecation statuses
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2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2
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2020-12-04 Mark AbrahamFix mdrun-only build
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2020-11-24 Mark AbrahamStop GoogleTest requiring ancient CMake minimum versions
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2020-11-10 Mark AbrahamAdd move operations to GpuHaloExchange
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2020-11-05 Mark AbrahamStop showing wrong README on GitHub front page
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2020-11-05 Mark AbrahamImprove issues with CUDA interacting with std flags
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2020-11-04 Mark AbrahamFix use of config.h in halo exchange tests
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2020-11-04 Mark AbrahamRemove logging from hardware detection
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2020-10-23 Mark AbrahamMerge branch release-2021
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2020-10-22 Mark AbrahamCompile host code with c++14 where needed
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2020-10-22 Mark AbrahamSuppress warnings from clang with nvcc more widely
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2020-10-21 Mark AbrahamFix C++ language flag propagation to nvcc
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2020-10-16 Mark AbrahamFixes for clang 11
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2020-10-14 Mark AbrahamFix compilation with MSVC
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2020-10-14 Mark AbrahamFix string interpolation error
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2020-10-14 Mark AbrahamFix bonded tests
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2020-10-07 Mark AbrahamUpdate to oneAPI beta09
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2020-10-02 Mark AbrahamCleaned up CUDA compilation
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2020-10-02 Mark AbrahamUpdate GoogleTest to v1.8.1
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2020-09-30 Mark AbrahamFix warnings issued by clang with nvcc
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2020-09-28 Mark AbrahamFix check for BitScanReverse64
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2020-09-25 Mark AbrahamEnsure the modular simulator runs only when it should
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2020-09-23 Mark AbrahamReport name of missing OpenCL kernels
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2020-09-23 Mark AbrahamPermit comparison of only first frames
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2020-09-22 Mark AbrahamSplit mdrun-test
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2020-09-21 Mark AbrahamWrong logic was used
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2020-09-16 Mark AbrahamActivate AMD OpenCL build in release matrix
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2020-09-12 Mark AbrahamFix GPU device info broadcast with MPI
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2020-08-26 Mark AbrahamPermit build with CUDA 11.0
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2020-08-17 Mark AbrahamAllow simpler use of scripted container builds
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2020-08-17 Mark AbrahamRestore use of CUDA 11.0 in CI
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2020-08-17 Mark AbrahamBuild fewer unnecessary SIMD kernels in CI
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2020-08-17 Mark AbrahamSupport oneAPI in gitlab CI
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2020-08-17 Mark AbrahamStopped using images in biophysics Docker repository
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2020-08-17 Mark AbrahamAvoid builds with RelWithDebInfo
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2020-08-17 Mark AbrahamFix isHostMemoryPinned for changes in CUDA 11.0
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2020-08-12 Mark AbrahamRevert to CUDA 10 image for CI
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2020-08-08 Mark AbrahamFix typo in docs
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2020-08-07 Mark AbrahamFix release build warning
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2020-08-06 Mark AbrahamKeep all the infra and the user happy
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2020-08-06 Mark AbrahamUpdate minimum tested CUDA to 11.0
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2020-07-31 Mark AbrahamMove code to prepare for multisim class
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2020-07-31 Mark AbrahamRelease configs were using a wrong build type
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2020-07-31 Mark AbrahamRelease configs were using a wrong build type
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2020-07-27 Mark AbrahamFix warnings in release builds
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2020-07-27 Mark AbrahamFix RDTSCP handling
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2020-07-15 Mark AbrahamDivide default communicator from DD communicators
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2020-07-08 Mark AbrahamFix issues found with clang-tidy
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2020-06-25 Mark AbrahamRestored the comment
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2020-06-23 Mark AbrahamWIP: Finish removing compile_cpp_as_cuda
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2020-06-01 Mark AbrahamFix atomics configure test
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2020-05-29 Mark AbrahamMake Cygwin build work
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2020-04-30 Mark AbrahamRemove bundled FindCUDA.cmake
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2020-04-30 Mark AbrahamFix compiler flag reporting
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2020-04-29 Mark AbrahamUpdate cmake version for docs container
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2020-04-29 Mark AbrahamBaseline commit
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2020-04-29 Mark AbrahamFixed several clang-tidy issues
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2020-04-27 Mark AbrahamImproved some logic in do_force
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2020-04-25 Mark AbrahamMove configuration of global headers
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2020-04-23 Mark AbrahamMark HWLOC cmake cache variable as advanced
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2020-04-23 Mark AbrahamFix warnings for no-mpi build
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2020-04-21 Mark AbrahamFix warnings with clang 9
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2020-04-16 Mark AbrahamIntroduce GMX_USE_SIMD_KERNELS cmake option
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2020-04-14 Mark AbrahamFix more clang warnings
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2020-04-13 Mark AbrahamFix warnings for no-mpi build
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2020-04-12 Mark AbrahamRemoved unused variable in force table generation
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2020-04-12 Mark AbrahamFinish removing ENCAD shifts and table generation
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2020-04-12 Mark AbrahamUpdate to clang-tidy-9
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2020-04-08 Mark AbrahamFixes for clang-tidy-9
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2020-04-07 Mark AbrahamReplace EnumOption with EnumerationArrayOption
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