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2017-08-17	Mark Abraham	Replace consistency checking with assertion	commit \| commitdiff \| tree
2017-08-16	Mark Abraham	Parse user-supplied GPU task assignment only when needed	commit \| commitdiff \| tree
2017-08-16	Mark Abraham	Remove duplicate GPU non-usage hint	commit \| commitdiff \| tree
2017-08-16	Mark Abraham	Moved logging functionality into GPU usage report	commit \| commitdiff \| tree
2017-08-10	Mark Abraham	Clarify data flow in GPU task assignment	commit \| commitdiff \| tree
2017-08-07	Mark Abraham	Fix include dependency for getenv	commit \| commitdiff \| tree
2017-08-07	Mark Abraham	Simplified handling of GPU device IDs	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Simplify resource-division efficiency check	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Split printhardware from detecthardware	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Decouple task assignment from task execution	commit \| commitdiff \| tree
2017-08-04	Mark Abraham	Stop using hwinfo_g for reporting code	commit \| commitdiff \| tree
2017-08-03	Mark Abraham	Removed unused include statements	commit \| commitdiff \| tree
2017-08-01	Mark Abraham	Introduced Mdrunner high-level class	commit \| commitdiff \| tree
2017-07-27	Mark Abraham	Enhance cmake and releng handling of GMX_USE_RDTSCP	commit \| commitdiff \| tree
2017-07-24	Mark Abraham	Separated responsibility for consistency checking	commit \| commitdiff \| tree
2017-07-24	Mark Abraham	Remove unnecessary GPU checking code	commit \| commitdiff \| tree
2017-07-20	Mark Abraham	Cleaned up bUseGpu in runner	commit \| commitdiff \| tree
2017-07-20	Mark Abraham	Stop duplicate printing of detected GPUs	commit \| commitdiff \| tree
2017-07-20	Mark Abraham	Fix use of GMX_SIMD in own-fftw build	commit \| commitdiff \| tree
2017-07-19	Mark Abraham	Made post-submit config to test clang+openmp.	commit \| commitdiff \| tree
2017-07-19	Mark Abraham	Improve CMake implementation for GMX_SIMD	commit \| commitdiff \| tree
2017-07-18	Mark Abraham	Converted some const pointers into const references...	commit \| commitdiff \| tree
2017-07-18	Mark Abraham	Eliminated pick_nbnxn_resources	commit \| commitdiff \| tree
2017-07-14	Mark Abraham	Implemented grompp -po for options-style mdp handling	commit \| commitdiff \| tree
2017-07-14	Mark Abraham	Clean up cmake build host detection	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	Clean up gmx_mdrun()	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	Cleaned up mdrunner_start_threads	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	More updates to testing matrix	commit \| commitdiff \| tree
2017-07-07	Mark Abraham	Refactor error handling in init_gpu	commit \| commitdiff \| tree
2017-07-06	Mark Abraham	Simplify gmx_gpu_opt_t	commit \| commitdiff \| tree
2017-07-04	Mark Abraham	Clean up pick_nbnxn_resources	commit \| commitdiff \| tree
2017-07-01	Mark Abraham	Cleaned up GPU emulation logic	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Cleaned up high-level boolean variable naming	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-06-27	Mark Abraham	Minor improvements to test configs	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Consolidated logic for choosing number of thread-MPI...	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Replace misnamed nbnxn_gpu_acceleration_supported	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Consolidate and fix logic for mdrun -nb and -gpuid	commit \| commitdiff \| tree
2017-06-21	Mark Abraham	Reform ngpu variable	commit \| commitdiff \| tree
2017-06-21	Mark Abraham	Remove bUserSetGpuIds field	commit \| commitdiff \| tree
2017-06-14	Mark Abraham	Simplify reporting from init_gpu	commit \| commitdiff \| tree
2017-06-12	Mark Abraham	Move gmx_parse_gpu_id out of checking function	commit \| commitdiff \| tree
2017-05-31	Mark Abraham	New quote	commit \| commitdiff \| tree
2017-05-30	Mark Abraham	Fix NVML error messages	commit \| commitdiff \| tree
2017-05-27	Mark Abraham	Quotes from Gottingen workshop	commit \| commitdiff \| tree
2017-05-26	Mark Abraham	Test invsixthroot function as intended	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Updated use of compiler specifiers in testing	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Updated use of gcc-5 specifiers	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Update clang static analyzer slave to use version 4	commit \| commitdiff \| tree
2017-05-14	Mark Abraham	Update clang-4	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Fix formatting of MKL cmake docs	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Cleaned up memory usage in gmx traj and trjconv	commit \| commitdiff \| tree
2017-04-22	Mark Abraham	Clean up memory usage with oenv and xvg writing	commit \| commitdiff \| tree
2017-04-17	Mark Abraham	Minor change to GPU compatibility reporting handling	commit \| commitdiff \| tree
2017-04-17	Mark Abraham	Propose a post-submit matrix	commit \| commitdiff \| tree
2017-04-03	Mark Abraham	Remove do_pbc_first	commit \| commitdiff \| tree
2017-03-31	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-03-29	Mark Abraham	Fix parameter description for dihedral_restraints	commit \| commitdiff \| tree
2017-03-22	Mark Abraham	Add section to user guide for managing simulations	commit \| commitdiff \| tree
2017-03-19	Mark Abraham	Fix string handling for gcc 7	commit \| commitdiff \| tree
2017-03-14	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-03-14	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Version 2016.3	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Modernize write_inpfile	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Modernize read_inpfile	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Tests for grompp -f -po	commit \| commitdiff \| tree
2017-03-09	Mark Abraham	Refactor GPU selection handling	commit \| commitdiff \| tree
2017-03-07	Mark Abraham	Fix minor issues in gmx traj -av -af	commit \| commitdiff \| tree
2017-03-04	Mark Abraham	Fixes for xl compilers 13.1.5 on Power8	commit \| commitdiff \| tree
2017-02-20	Mark Abraham	Add tests for old gmx energy functionality	commit \| commitdiff \| tree
2017-02-17	Mark Abraham	Use gmx::Mutex and gmx::lock_guard to fix some issues	commit \| commitdiff \| tree
2017-02-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-02-14	Mark Abraham	Fix handling of previous virials	commit \| commitdiff \| tree
2017-02-14	Mark Abraham	Reduce compilation coupling	commit \| commitdiff \| tree
2017-02-10	Mark Abraham	Corrected output of gmx do_dssp -sc	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Complete the removal of stateful RNG	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Improved state_change_natoms and used it more	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Remove EST_DISTR from state.h	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Enhance warninp	commit \| commitdiff \| tree
2017-02-08	Mark Abraham	Extend serialization to gmx_int64_t	commit \| commitdiff \| tree
2017-02-08	Mark Abraham	Remove docs for unimplemented trjconv -clustercenter	commit \| commitdiff \| tree
2017-02-08	Mark Abraham	Create applied-forces module group	commit \| commitdiff \| tree
2017-02-08	Mark Abraham	Give MDModules responsibility for option handling	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Introduced system preparation section to user guide	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Version 2016.2	commit \| commitdiff \| tree
2017-02-05	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-02-03	Mark Abraham	Remove typedef struct in some mdtypes files	commit \| commitdiff \| tree
2017-02-02	Mark Abraham	Clarify use of tau-p and pcoupltype	commit \| commitdiff \| tree
2017-01-31	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-01-30	Mark Abraham	Fix multi-domain reruns	commit \| commitdiff \| tree
2017-01-30	Mark Abraham	Don't print invalid performance data	commit \| commitdiff \| tree
2017-01-23	Mark Abraham	Stopped header files including state.h	commit \| commitdiff \| tree
2017-01-22	Mark Abraham	Fixed gmx rmsf -q -oq.	commit \| commitdiff \| tree
2017-01-21	Mark Abraham	Removed init_state	commit \| commitdiff \| tree
2017-01-20	Mark Abraham	Initialize GMX_*_LIBRARIES cmake variables earlier	commit \| commitdiff \| tree
2017-01-14	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-01-06	Mark Abraham	Document ISerializer class	commit \| commitdiff \| tree
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