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Merge branch release-5-1
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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2015-09-15
Mark Abraham
Merge branch release-5-1
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2015-09-12
Mark Abraham
Clean up tpxio.cpp
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2015-09-09
Mark Abraham
Reduce misuse of fatalerror.h
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2015-09-06
Mark Abraham
Add GROMACS 5 paper to paper lists
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2015-09-04
Mark Abraham
Fix recent tpr change
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2015-09-03
Mark Abraham
Never operate on force array in .tpr
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2015-08-28
Mark Abraham
Keep hw_opt more const
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2015-08-19
Mark Abraham
Harden FindSphinx.cmake
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2015-08-17
Mark Abraham
Remove infrastructure for gmx protonate
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2015-08-14
Mark Abraham
Merge branch release-5-1 into master
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2015-08-14
Mark Abraham
Bump patch version to prepare for 5.1.1
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2015-08-14
Mark Abraham
Version 5.1
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2015-08-13
Mark Abraham
Make it easier to find selection help
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2015-08-13
Mark Abraham
Make it easier to find selection help
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2015-08-13
Mark Abraham
Re-enable multi-GPU support in OpenCL for thread MPI
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2015-08-13
Mark Abraham
Documentation fixes
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2015-08-13
Mark Abraham
Avoid FP exception with empty .mdp file
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2015-08-12
Mark Abraham
Add documentation for energygrps with GPUs
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2015-08-12
Mark Abraham
Add to author lists
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2015-08-11
Mark Abraham
Abort if PME tuning is active and counters reset
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2015-08-10
Mark Abraham
Require tune_pme to take -mdrun parameter
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2015-08-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-08-08
Mark Abraham
Fix docs of ftypes of dihedrals
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2015-08-06
Mark Abraham
Fix FindNVML.cmake
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2015-08-06
Mark Abraham
Fix thread-affinity checking
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2015-08-05
Mark Abraham
Fix em dash in new reference
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2015-08-04
Mark Abraham
Merge release-5-0 into release-5-1
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2015-08-03
Mark Abraham
Fix use of wrongly-named GCC minor-version variable
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2015-08-03
Mark Abraham
Fix possible linking of libxml2 to zlib
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2015-07-26
Mark Abraham
Convert some mdrun utility code to C++
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2015-07-26
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-07-26
Mark Abraham
Stop mdrun printing potentially undefined value
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2015-07-26
Mark Abraham
Version bumps after new release
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2015-07-24
Mark Abraham
Merge branch release-5-1
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2015-07-24
Mark Abraham
Version 5.0.6
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2015-07-19
Mark Abraham
Update advice about grompp -t
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2015-07-14
Mark Abraham
Converted gmxpreprocess to compile as C++
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2015-07-08
Mark Abraham
Give bTypePerturbed a valid initial value
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2015-07-08
Mark Abraham
Fix grompp .edr IO estimate for free-energy calcs
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2015-07-06
Mark Abraham
First 5.1 release candidate
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2015-07-03
Mark Abraham
Fix ThreadMPI GPU assumptions
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2015-06-30
Mark Abraham
Document how to add and use NVML support
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2015-06-30
Mark Abraham
Avoid GPU data race also with OpenCL
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2015-06-30
Mark Abraham
Add support for flushing WDDM queue
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2015-06-29
Mark Abraham
Merge "Merge branch release-5-0"
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2015-06-29
Mark Abraham
Merge branch release-5-0
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2015-06-29
Mark Abraham
Documented build types in developer guide
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2015-06-29
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-29
Mark Abraham
Add MSAN build type
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2015-06-29
Mark Abraham
Fix all use of nbnxn_simd.h
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2015-06-27
Mark Abraham
Merge release-5-0 into master
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2015-06-26
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-26
Mark Abraham
Fix mdrun -confout sometimes affecting final .edr frame
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2015-06-25
Mark Abraham
Merge "Merge release-5-0 into master"
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2015-06-25
Mark Abraham
Merge release-5-0 into master
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2015-06-24
Mark Abraham
Merge release-4-6 into release-5-0
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