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Separate canDetectGpus and findGpus futher, and fix tests
2017-12-29
Mark Abraham
Separate canDetectGpus and findGpus futher, and fix...
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2017-12-27
Mark Abraham
Silence POWER8 compiler warnings
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-21
Mark Abraham
Bump minor version for theoretical new release
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2017-12-21
Mark Abraham
Update double-precision test configurations
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2017-12-21
Mark Abraham
Version 5.1.5
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2017-12-20
Mark Abraham
Use new defaultRealTolerance() to stabilise some tests
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2017-12-20
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-19
Mark Abraham
Third beta release of 2018
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2017-12-19
Mark Abraham
Fix table tests and improve table construction
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2017-12-15
Mark Abraham
Make OpenCL implementation of gpu_utils tests conform
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2017-12-14
Mark Abraham
Avoid confusing message at end of non-dynamical runs
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2017-12-14
Mark Abraham
Fix return values of frame-reading functions
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2017-12-14
Mark Abraham
Make AVX-512 CMake detction work
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2017-12-14
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2017-12-12
Mark Abraham
Improve grompp missing-parameters error message
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-11
Mark Abraham
Second beta release of 2018
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2017-12-11
Mark Abraham
Leave NVML use off by default
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2017-12-11
Mark Abraham
Check for GPU detection support before detecting
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2017-12-11
Mark Abraham
Consume any error produced during GPU detection
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2017-12-11
Mark Abraham
Avoid signed-overflow warning with gcc 7
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2017-12-11
Mark Abraham
Remove SIMD shift operators
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2017-12-08
Mark Abraham
Refine ulp tolerances for some more ewald tests
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2017-12-05
Mark Abraham
Fix mdrun -nb auto -pme auto when GPUs are absent
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2017-12-05
Mark Abraham
Update testing to include cmake 3.10.0
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2017-12-04
Mark Abraham
Fix free_gpu
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2017-12-04
Mark Abraham
Fix unused variables in CPU pruning kernels
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-03
Mark Abraham
Fix fft5d pinning
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2017-11-28
Mark Abraham
GROMACS 2018 first beta release
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2017-11-24
Mark Abraham
Update developer guide
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2017-11-24
Mark Abraham
Activate PME on GPUs
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2017-11-24
Mark Abraham
Separate management of GPU contexts from modules
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2017-11-24
Mark Abraham
Add PME integration test
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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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