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Add timing accumulation capability into GpuRegionTimer
2017-10-06
Aleksei Iupinov
Add timing accumulation capability into GpuRegionTimer
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2017-10-05
Berk Hess
Make SIMD ambiguous test work with float/double only
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2017-10-05
Szilárd Páll
Fix pair list array assertion
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2017-10-05
Szilárd Páll
Avoid -Wmissing-prototypes warnings in clang CUDA builds
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2017-10-05
Roland Schulz
Fix that exp(load(x)) is ambiguous
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2017-10-04
Mark Abraham
Enable group-scheme SIMD with GMX_SIMD=AVX2_128
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2017-10-04
Aleksei Iupinov
Add GpuRegionTimer class
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2017-10-03
Mark Abraham
Introduce and use AlignedAllocationPolicy
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2017-10-02
Berk Hess
Remove hybrid gpu+cpu nonbonded mode
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2017-09-26
Aleksei Iupinov
Move CUDA texture setup code from NB CUDA module to...
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-15
Berk Hess
Remove nb-parameters from t_forcerec
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2017-09-15
Mark Abraham
Express intent of matrix release build types explicitly
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2017-09-15
Mark Abraham
Bumped patch version for next release
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2017-09-15
Mark Abraham
Version 2016.4
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2017-09-14
Aleksei Iupinov
Fix non-SIMD build failing
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2017-09-14
Szilárd Páll
CUDA 9/Volta support for the pruning kernel
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2017-09-14
Mark Abraham
Form taskassignment module
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2017-09-14
Mark Abraham
Fix compat module definition
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2017-09-12
Erik Lindahl
Improve accuracy of SIMD exp for small args
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Berk Hess
Do not pass state to init_replica_exchange
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2017-09-11
Szilárd Páll
NVIDIA Volta performance tweaks
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2017-09-11
Berk Hess
Fix PBC bugs in the swap code
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2017-09-07
Mark Abraham
Introduce type-safe GPU emulation variables
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2017-09-07
Roland Schulz
Add isIntegralConstant type trait
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2017-09-07
Mark Abraham
Enable group-scheme SIMD kernels on recent AVX extensions
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2017-09-06
Roland Schulz
PME-gather: Use templated functor instead of preprocessor
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2017-09-05
Christoph Junghans
Supported quiet trajectory-handling I/O
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2017-09-05
Mark Abraham
Fixes for Solaris
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2017-09-05
Mark Abraham
Fix use of GPU information for thread-MPI setup
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2017-09-04
Berk Hess
Fix two nbnxn search indexing bugs
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2017-09-04
Roland Schulz
Fix accuracy for cvtDouble2Float/cprod
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2017-09-04
Berk Hess
Consolidate architecture booleans
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2017-09-03
Mark Abraham
Fix compiler flags for using MKL
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-25
Mark Abraham
Fix flat-bottomed position restraints with multiple...
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2017-08-22
Mark Abraham
Run GPU detection even for mdrun -nb cpu
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2017-08-22
Mark Abraham
Fixed thread-MPI with non-default -npme
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2017-08-22
Mark Abraham
Fix missing declaration of GMX_UNUSED_VALUE
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2017-08-22
Aleksei Iupinov
Separate PME spread and gather wallcycle counters
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2017-08-22
Berk Hess
Enable dynamic pair list pruning
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-21
Teemu Murtola
Simple union-find structure
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2017-08-21
Mark Abraham
Moved increase_nstlist() to nbnxn_tuning.h
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2017-08-21
Mark Abraham
Fix compilation issues with ARM SIMD
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2017-08-21
Szilárd Páll
Add OpenCL pruning kernels and launch/timing logic
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2017-08-18
Szilárd Páll
Improve awkward handling of GMX_CUDA_TARGET* help
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2017-08-18
Vedran Miletić
Improve the "files not present" error message
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2017-08-18
Szilárd Páll
Add CUDA pruning kernels and launch/timing logic
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2017-08-18
Berk Hess
Add CPU reference and SIMD pruning kernels
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2017-08-17
Mark Abraham
Replace consistency checking with assertion
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2017-08-16
Berk Hess
Add dynamic pair-list pruning framework
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2017-08-16
Berk Hess
Clean up nbnxn cluster pair addition code
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2017-08-16
Mark Abraham
Parse user-supplied GPU task assignment only when needed
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2017-08-15
David van der Spoel
Worked around missing OpenMP implementation in orires.
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-15
Jiri Kraus
CUDA 9/Volta support for the nonbonded module
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2017-08-15
Mark Abraham
Fix value of Ewald shift
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2017-08-07
Mark Abraham
Fix include dependency for getenv
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2017-08-06
Mark Abraham
Simplify resource-division efficiency check
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2017-08-06
Mark Abraham
Decouple task assignment from task execution
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2017-08-06
Mark Abraham
Removed unused host-side allocation code
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2017-08-04
Mark Abraham
Stop using hwinfo_g for reporting code
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2017-08-03
Mark Abraham
Removed unused include statements
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2017-08-03
Berk Hess
Add check for nr of orientation restraints
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2017-08-03
Berk Hess
Fix bugs with orientation restraints
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2017-08-03
Carsten Kutzner
Added missing .mdp file documentation for the enforced...
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2017-08-02
Berk Hess
Clean up matrix inversion
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2017-08-02
Berk Hess
Fix orientation restraint reference
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2017-08-02
David van der Spoel
Worked around missing OpenMP implementation in orires.
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2017-08-01
Mark Abraham
Introduced Mdrunner high-level class
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2017-07-28
David van der Spoel
Added unit-test for orientation restraints output.
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2017-07-27
Mark Abraham
Enhance cmake and releng handling of GMX_USE_RDTSCP
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2017-07-27
Szilárd Páll
Inform users about the end of run DLB state
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2017-07-19
David van der Spoel
Removed unnecessary static declarations for command...
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2017-07-14
Mark Abraham
Implemented grompp -po for options-style mdp handling
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2017-07-14
Mark Abraham
Clean up cmake build host detection
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2017-07-13
Mark Abraham
Clean up gmx_mdrun()
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2017-07-13
Mark Abraham
Cleaned up mdrunner_start_threads
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2017-07-11
Roland Schulz
PME-gather: make variables local and const
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2017-07-11
Teemu Murtola
Support scoped key-value tree transform rules
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2017-07-07
Mark Abraham
Refactor error handling in init_gpu
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2017-07-04
Mark Abraham
Clean up pick_nbnxn_resources
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2017-07-01
Mark Abraham
Cleaned up GPU emulation logic
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2017-06-30
Teemu Murtola
Fix boolean serialization
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2017-06-30
Teemu Murtola
Extend key-value tree comparison and tests
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2017-06-28
Mark Abraham
Cleaned up high-level boolean variable naming
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2017-06-28
Mark Abraham
Fix specification for gcc-6
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Teemu Murtola
Do not use conf-man.py for non-manpage doc builds
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2017-06-27
Mark Abraham
Minor improvements to test configs
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2017-06-26
Erik Lindahl
Fix ARM NEON simd debug builds
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2017-06-26
Szilárd Páll
Add ARM_NEON_ASIMD post-submit test
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2017-06-26
Jiri Kraus
Updated application clock handling on Pascal+ GPUs
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2017-06-22
Mark Abraham
Consolidated logic for choosing number of thread-MPI...
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2017-06-22
Mark Abraham
Replace misnamed nbnxn_gpu_acceleration_supported
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2017-06-22
Mark Abraham
Consolidate and fix logic for mdrun -nb and -gpuid
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2017-06-21
Szilárd Páll
Re-enable lost DD warning + minor code modernization
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2017-06-21
Mark Abraham
Reform ngpu variable
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