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Fix premature reporting of action when GPUs are not detected
2018-06-13
Mark Abraham
Fix premature reporting of action when GPUs are not...
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2018-06-13
Mark Abraham
Update top-level README
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2018-06-13
Mark Abraham
Fixed documentation typo
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2018-06-12
Mark Abraham
More fixes to suit gcc 8 for double build
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2018-06-05
Mark Abraham
Fixed enemat when .edr had no matching energy groups
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2018-06-05
Mark Abraham
Improved docs for gmx mindist -pi
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2018-04-03
Mark Abraham
Remove leftover mention of twin-range scheme
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2018-03-27
Mark Abraham
Clarified mdp options relating to bonds
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2018-03-27
Mark Abraham
More gcc-8 fixes for POWER
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2018-03-22
Mark Abraham
Updated to prepare for 2018.2 release
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2018-03-21
Mark Abraham
Version 2018.1
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2018-03-21
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2018-03-21
Mark Abraham
Update release notes for 2018.1
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-03-20
Mark Abraham
Update use of gpu_id in Jenkins
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2018-03-20
Mark Abraham
Update use of gpu_id in Jenkins
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2018-03-19
Mark Abraham
Fix VSX SIMD with gcc 8
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2018-03-12
Mark Abraham
Test gcc-6 and cuda-9.0
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2018-03-06
Mark Abraham
Fixed dvdlambda for SHAKE + FE
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2018-02-27
Mark Abraham
Fix GPU utils test
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2018-02-26
Mark Abraham
Permit define .mdp field to assign values
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2018-02-26
Mark Abraham
Organize for recording 2016-era release notes and add...
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Bumped patch version for next release
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2018-02-16
Mark Abraham
Version 2016.5
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-14
Mark Abraham
Fix bug in checkpoint error checking
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2018-02-14
Mark Abraham
Prepare release notes for 2018.1
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2018-02-13
Mark Abraham
Use death test only when supported
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2018-02-08
Mark Abraham
Use more portable python shebangs
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2018-02-08
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-06
Mark Abraham
Prevent log file energy average printing dividing by...
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2018-02-06
Mark Abraham
Use isfinite unambiguously
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2018-01-24
Mark Abraham
Move Windows icc config to post-submit testing
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2018-01-11
Mark Abraham
Bumped version for next patch release
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2018-01-11
Mark Abraham
Version 2018
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2018-01-11
Mark Abraham
Announce in user log files that features are deprecated.
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2018-01-10
Mark Abraham
Fix automated GPU ID assignment
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2018-01-10
Mark Abraham
Add release notes to source repo
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2018-01-10
Mark Abraham
Handle erroneous command line args better
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2018-01-09
Mark Abraham
Deactivate autoselect of PME on GPU on separate rank
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2018-01-09
Mark Abraham
Clean up user guide for release
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2018-01-05
Mark Abraham
Remove FindCUDA from source tarball
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2018-01-04
Mark Abraham
Add test config of GPU build on slave without GPU
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2018-01-03
Mark Abraham
Fix duplicate warning
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2018-01-02
Mark Abraham
Fix membed by calling the proper mtop finalization...
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2017-12-30
Mark Abraham
First release candidate for version 2018
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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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