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Extend task assignment code
2017-11-24
Mark Abraham
Extend task assignment code
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2017-11-21
Mark Abraham
Use much less PaddedRVecVector and more ArrayRef of...
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2017-11-21
Mark Abraham
Support pinning in HostAllocator
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2017-11-20
Mark Abraham
Fix nightly matrix config
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2017-11-19
Mark Abraham
Fix FindCUDA.cmake for -Wundef
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2017-11-17
Mark Abraham
Use HostAllocationPolicy for chargeA
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2017-11-17
Mark Abraham
Add checking function for whether a buffer is pinned
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2017-11-17
Mark Abraham
Improve handling of PME GPU force buffer
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2017-11-10
Mark Abraham
Import cmake Modules/FindCUDA.cmake
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2017-11-09
Mark Abraham
Prepared t_mdatoms for using vector
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2017-11-09
Mark Abraham
Introduce HostAllocationPolicy
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2017-11-07
Mark Abraham
Reform gmx_pme_pp alloc and use vector
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2017-11-07
Mark Abraham
Introduce gmxopencl.h
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2017-11-07
Mark Abraham
Test clang on ARM in nightly matrix
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2017-11-07
Mark Abraham
Improve PME includes
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2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-11-01
Mark Abraham
Fix thread-MPI rank choice for orientation restraints
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2017-11-01
Mark Abraham
Improve handling of GPU IDs
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2017-10-31
Mark Abraham
Update treatment of GPU compatibility data structure
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2017-10-30
Mark Abraham
Fix and update hw_info
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2017-10-27
Mark Abraham
Fix hw detection more
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2017-10-26
Mark Abraham
Make release matrix work again
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2017-10-26
Mark Abraham
New quote
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2017-10-25
Mark Abraham
Teach the copyright checker about template.cpp
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2017-10-20
Mark Abraham
Clarify docs for Fmax in EM
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-10-13
Mark Abraham
Update tests for C++11 compiler and standard library
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2017-10-13
Mark Abraham
Fix cpuinfo on clang + non-x86
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2017-10-11
Mark Abraham
Introduced header for communication to/from PME ranks
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2017-10-11
Mark Abraham
Cleaned up ewaldcoeff for PME-only ranks
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2017-10-11
Mark Abraham
Use clang-5 in Jenkins
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2017-10-07
Mark Abraham
Tell cppcheck that .cpp and .cu files are c++
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2017-10-05
Mark Abraham
Continue removing -nb gpu_cpu
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2017-10-04
Mark Abraham
Enable group-scheme SIMD with GMX_SIMD=AVX2_128
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2017-10-03
Mark Abraham
Introduce and use AlignedAllocationPolicy
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2017-09-19
Mark Abraham
Update testing matrices to test with (latest) icc-18
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2017-09-17
Mark Abraham
Merge branch release-2016
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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
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
Mark Abraham
Merge branch release-2016
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2017-09-07
Mark Abraham
Introduce type-safe GPU emulation variables
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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
Mark Abraham
Prepare Verlet scheme later in runner
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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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2017-09-03
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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2017-08-23
Mark Abraham
Stopped checkpoint influencing parallelism setup
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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
Mark Abraham
Merge branch release-2016
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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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2017-08-17
Mark Abraham
Replace consistency checking with assertion
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2017-08-16
Mark Abraham
Parse user-supplied GPU task assignment only when needed
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2017-08-16
Mark Abraham
Remove duplicate GPU non-usage hint
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2017-08-16
Mark Abraham
Moved logging functionality into GPU usage report
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-15
Mark Abraham
Fix value of Ewald shift
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2017-08-10
Mark Abraham
Clarify data flow in GPU task assignment
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2017-08-07
Mark Abraham
Fix include dependency for getenv
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2017-08-07
Mark Abraham
Simplified handling of GPU device IDs
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2017-08-06
Mark Abraham
Simplify resource-division efficiency check
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2017-08-06
Mark Abraham
Split printhardware from detecthardware
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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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2017-08-01
Mark Abraham
Introduced Mdrunner high-level class
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2017-07-27
Mark Abraham
Enhance cmake and releng handling of GMX_USE_RDTSCP
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2017-07-24
Mark Abraham
Separated responsibility for consistency checking
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2017-07-24
Mark Abraham
Remove unnecessary GPU checking code
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2017-07-20
Mark Abraham
Cleaned up bUseGpu in runner
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2017-07-20
Mark Abraham
Stop duplicate printing of detected GPUs
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2017-07-20
Mark Abraham
Fix use of GMX_SIMD in own-fftw build
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2017-07-19
Mark Abraham
Made post-submit config to test clang+openmp.
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2017-07-19
Mark Abraham
Improve CMake implementation for GMX_SIMD
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2017-07-18
Mark Abraham
Converted some const pointers into const references...
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2017-07-18
Mark Abraham
Eliminated pick_nbnxn_resources
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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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2017-07-13
Mark Abraham
More updates to testing matrix
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2017-07-07
Mark Abraham
Refactor error handling in init_gpu
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2017-07-06
Mark Abraham
Simplify gmx_gpu_opt_t
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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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2017-06-28
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
Mark Abraham
Minor improvements to test configs
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2017-06-22
Mark Abraham
Consolidated logic for choosing number of thread-MPI...
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