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Merge branch release-5-1
2016-01-28
Mark Abraham
Merge branch release-5-1
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2016-01-28
Mark Abraham
Fix use of __APPLE__ in OpenCL code
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2016-01-28
Mark Abraham
Add OpenCL source file types to copyright checker
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2016-01-28
Mark Abraham
Avoid FP exception
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2016-01-27
Mark Abraham
Merge branch release-5-1
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2016-01-27
Mark Abraham
Remove bNotLastFrame
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2016-01-27
Mark Abraham
Add suggestions for updating binutils
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2016-01-26
Mark Abraham
Fix default for GMX_USE_NVML
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2016-01-25
Mark Abraham
Merge branch release-5-1
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2016-01-24
Mark Abraham
Fix duplicate LaTeX equation label
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2016-01-24
Mark Abraham
Update references to HTML and online documentation
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2016-01-14
Mark Abraham
Permit customized testing of grompp and mdrun
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2016-01-13
Mark Abraham
Allowed NVML support to be toggled
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2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-01-11
Mark Abraham
Improved update_coords
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2016-01-08
Mark Abraham
Improve tpr header version handling
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2016-01-07
Mark Abraham
Fix some mdrun header dependencies
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2016-01-07
Mark Abraham
Avoid more C++ bindings for MPI
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2016-01-07
Mark Abraham
Document how potential-switch works
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2016-01-07
Mark Abraham
Stop using UNDEFINED as name of a symbol
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2016-01-07
Mark Abraham
Remove fields used only for SD2
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2016-01-07
Mark Abraham
Backport md-vv fixes
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2016-01-07
Mark Abraham
Remove SD2 integrator
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2016-01-06
Mark Abraham
Fix spurious gcc warning
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2016-01-05
Mark Abraham
Fix logic for DD missing-interactions check
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2016-01-05
Mark Abraham
Use EXPECT_TRUE and EXPECT_FALSE in new SIMD tests
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2016-01-04
Mark Abraham
Change GMX_DOUBLE to be always defined
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2015-12-28
Mark Abraham
Create invertmatrix.h
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-27
Mark Abraham
Fix some OpenCL issues
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2015-12-24
Mark Abraham
Moved responsibility for f_global
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2015-12-24
Mark Abraham
Shell code cleanup
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2015-12-17
Mark Abraham
Simplified energy-summation code
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2015-12-12
Mark Abraham
Broke up copyright.*
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2015-12-12
Mark Abraham
Require Nose-Hoover with MTTK
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2015-12-11
Mark Abraham
Stop global communication depending on integrator
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2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
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2015-12-09
Mark Abraham
Update use of preprocessor in managing GPU support
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2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
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2015-12-08
Mark Abraham
Fix Trotter integration
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2015-12-03
Mark Abraham
Remove mdrun -compact
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2015-12-02
Mark Abraham
Remove twin-range scheme
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2015-11-30
Mark Abraham
Refactor hardware information management
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2015-11-25
Mark Abraham
Fix logic of dd_print_missing_interactions exit
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2015-11-24
Mark Abraham
Fix error in multi-sim communication
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2015-11-23
Mark Abraham
Update and expand pre-submit commit matrix
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2015-11-22
Mark Abraham
Fix generic group-scheme kernel table dereferencing
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2015-11-20
Mark Abraham
Split wallcycle interface
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2015-11-20
Mark Abraham
Remove ewcWAIT_GPU_NB_L_EST
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2015-11-19
Mark Abraham
Simplified init and mdrun code
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2015-11-16
Mark Abraham
Fix use of #if vs #ifdef
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2015-11-16
Mark Abraham
Remove t_adress
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2015-11-16
Mark Abraham
Fix AlignedAllocator with MSVC2015 debug mode
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2015-11-16
Mark Abraham
Removed state_global from mdrun energy-summation
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2015-11-16
Mark Abraham
Remove "support" for twin-range with VV integrators
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2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-15
Mark Abraham
Remove AdResS
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2015-11-15
Mark Abraham
Move responsibility for FFT description string
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2015-11-14
Mark Abraham
Moved all cool stuff to its own file
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2015-11-14
Mark Abraham
Fix walltime measurement with bgclang
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2015-11-13
Mark Abraham
Update includesorter.py
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2015-11-11
Mark Abraham
Merge release-5-0 into release-5-1
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2015-11-10
Mark Abraham
Bump patch version to prepare for 5.1.2
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2015-11-05
Mark Abraham
Move DD hashing to domdec module
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2015-11-05
Mark Abraham
Handle another unused variable
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2015-11-04
Mark Abraham
Permit matrix build with RelWithDebInfo set
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2015-11-04
Mark Abraham
Merge branch release-5-1
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2015-11-04
Mark Abraham
Even less moving from unique_ptr
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2015-11-04
Mark Abraham
Version 5.1.1
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2015-11-04
Mark Abraham
Fix icc 16 issues
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2015-11-04
Mark Abraham
Stop moving from unique_ptr when copy elision works
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2015-11-03
Mark Abraham
Quiet warnings with clang-3.7
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2015-11-03
Mark Abraham
Merge branch release-5-1
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2015-11-02
Mark Abraham
Replace boost::shared_ptr with std::shared_ptr
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2015-10-28
Mark Abraham
Use default alignment for OpenCL host buffer
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2015-10-28
Mark Abraham
Separate wallcycle responsibilities
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2015-10-28
Mark Abraham
Suppress warnings when we have OpenCL 2.0 support
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2015-10-23
Mark Abraham
Improve implementation of cycle subcounting
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2015-10-19
Mark Abraham
Fix cycle subcounters
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2015-10-16
Mark Abraham
Add Jenkins options matrix to source repo
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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-14
Mark Abraham
Version bumps after release
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2015-10-14
Mark Abraham
Simplify genconf
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2015-10-14
Mark Abraham
Version 5.0.7
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2015-10-13
Mark Abraham
Merge branch release-4-6 into release-5-0
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2015-10-09
Mark Abraham
Remove CGLO_RERUNMD
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2015-10-07
Mark Abraham
Merge branch release-5-1 into master
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2015-10-07
Mark Abraham
Fixed FFTW detection status message location
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2015-10-05
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-05
Mark Abraham
Merge "Merge branch release-5-1 into master"
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2015-10-03
Mark Abraham
Fix FindFFTW behaviour
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2015-10-03
Mark Abraham
Fix mdrun -nb auto -rerun with GPU and energy groups
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2015-10-02
Mark Abraham
Temporarily test on a machine with only two GPUs
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2015-09-29
Mark Abraham
Clean up of tables code
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2015-09-29
Mark Abraham
Move tables.c to new module and C++
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2015-09-29
Mark Abraham
Hard-code fewer things in table code
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2015-09-28
Mark Abraham
Eliminate use of typedefs.h in kernel C code
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2015-09-26
Mark Abraham
Fix reaction-field warning message
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2015-09-16
Mark Abraham
Remove GMX_NOCHARGEGROUPS
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