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Merge branch 'release-5-0' into release-5-1
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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2015-11-24
Mark Abraham
Fix error in multi-sim communication
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2015-11-14
Mark Abraham
Fix walltime measurement with bgclang
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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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2015-11-04
Mark Abraham
Version 5.1.1
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2015-10-28
Mark Abraham
Suppress warnings when we have OpenCL 2.0 support
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2015-10-19
Mark Abraham
Fix cycle subcounters
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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
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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2015-10-07
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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2015-10-03
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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2015-09-26
Mark Abraham
Fix reaction-field warning message
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2015-09-06
Mark Abraham
Add GROMACS 5 paper to paper lists
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2015-08-19
Mark Abraham
Harden FindSphinx.cmake
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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
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
Version 5.0.6
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2015-07-19
Mark Abraham
Update advice about grompp -t
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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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2015-06-18
Mark Abraham
Fix typo in GMX_BUILD_OWN_FFTW message
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2015-06-16
Mark Abraham
Stop people installing into the build tree
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2015-06-16
Mark Abraham
Move code for managing mdrun -cpi and -append
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2015-06-16
Mark Abraham
Fix pairs_nb not recognized as part of moleculetype
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2015-06-16
Mark Abraham
Add unit tests for ArrayRef
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2015-06-12
Mark Abraham
Fix commandline test data
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2015-06-11
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2015-06-11
Mark Abraham
Handle timing better in Jenkins
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2015-06-11
Mark Abraham
Clean up vsite interaction clean-up code
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2015-06-09
Mark Abraham
Document limitations of trjconv -dump
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2015-06-09
Mark Abraham
Merge branch release-4-6 into release-5-0
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2015-06-05
Mark Abraham
Remove gmx_simd_check_and_reset_overflow
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2015-06-04
Mark Abraham
Fix naming from "Gromacs" to "GROMACS"
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2015-05-27
Mark Abraham
Fix warnings from GCC 5
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2015-05-26
Mark Abraham
Avoid possible floating-point exception
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2015-05-26
Mark Abraham
Convert ewald module to C++
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2015-05-26
Mark Abraham
Fix use of hard-coded temporary filename
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2015-05-23
Mark Abraham
Fix misuse of gmx_simd_check_and_reset_overflow
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2015-05-21
Mark Abraham
Add integration test for empty domain
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2015-05-19
Mark Abraham
Add checks for correct use of SIMD headers.
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2015-05-19
Mark Abraham
Refactor FFTW setup
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2015-05-17
Mark Abraham
Merge branch origin/release-5-0
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2015-05-16
Mark Abraham
Suppress GCC5 warnings with internal Boost
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2015-05-14
Mark Abraham
Fix own-FFTW build
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2015-05-13
Mark Abraham
Version bumps after new release
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2015-05-13
Mark Abraham
Version 5.0.5
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2015-05-12
Mark Abraham
Fix uninitialized fields in grompp t_state
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2015-05-11
Mark Abraham
Work around gcc 5 warnings with Google Test
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2015-05-10
Mark Abraham
Merge "Merge branch release-5-0"
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2015-05-09
Mark Abraham
Merge branch release-5-0
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2015-05-06
Mark Abraham
Fixed recently-introduced couple-lambda warning message
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2015-05-06
Mark Abraham
Fix SIMD unit tests on BG/Q
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2015-05-05
Mark Abraham
Merge release-4-6 into release-5-0
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2015-04-30
Mark Abraham
Move GPU implementation to new interface
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2015-04-28
Mark Abraham
Add application-clock NVML-based support for Quadro...
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2015-04-27
Mark Abraham
Clean up remnants in mdrun
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2015-04-24
Mark Abraham
Add developer docs for new documentation infrastructure
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