BioD PNPI Git Repos - alexxy/gromacs.git/history

biod.pnpi.spb.ru / alexxy / gromacs.git / history

[alexxy/gromacs.git] / src / gromacs / mdrun / runner.cpp

2019-10-10	Paul Bauer	Basic population of simulation workload	blob \| commitdiff \| raw
2019-10-07	Artem Zhmurov	Pass the GPU streams to StatePropagatorDataGpu constructor	blob \| commitdiff \| raw \| diff to current
2019-10-07	Mark Abraham	Extend GPU traits class	blob \| commitdiff \| raw \| diff to current
2019-10-07	Artem Zhmurov	Fix a bug in GPU halo exchange initialization	blob \| commitdiff \| raw \| diff to current
2019-10-01	Artem Zhmurov	StatePropagatorDataGpu object to manage GPU forces...	blob \| commitdiff \| raw \| diff to current
2019-10-01	Mark Abraham	Move GPU task assignment	blob \| commitdiff \| raw \| diff to current
2019-10-01	Mark Abraham	Removed dependency on commrec of mdrun setup	blob \| commitdiff \| raw \| diff to current
2019-09-30	Mark Abraham	Make a builder for DD	blob \| commitdiff \| raw \| diff to current
2019-09-30	Szilárd Páll	Move PME GPU program building later	blob \| commitdiff \| raw \| diff to current
2019-09-30	Carsten Kutzner	Corrected a few typos in documentation and comments	blob \| commitdiff \| raw \| diff to current
2019-09-26	Paul Bauer	Revert "Remove update flag again"	blob \| commitdiff \| raw \| diff to current
2019-09-25	Szilárd Páll	Merge remote-tracking branch 'origin/release-2019'	blob \| commitdiff \| raw \| diff to current
2019-09-24	Mark Abraham	Merge "Merge branch release-2019 into master"	blob \| commitdiff \| raw \| diff to current
2019-09-24	Paul Bauer	Merge branch release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-09-23	Paul Bauer	Change MPI setup to communicate TPR as buffer	blob \| commitdiff \| raw \| diff to current
2019-09-22	Paul Bauer	Remove update flag again	blob \| commitdiff \| raw \| diff to current
2019-09-22	Artem Zhmurov	Disable GPU update/constraints when neither PME nor...	blob \| commitdiff \| raw \| diff to current
2019-09-20	Mark Abraham	Refactor to create a GpuTaskAssignments object	blob \| commitdiff \| raw \| diff to current
2019-09-19	Mark Abraham	Use GPU halo exchange only when compatible DD is available	blob \| commitdiff \| raw \| diff to current
2019-09-19	Berk Hess	Remove charge group data from t_forcerec	blob \| commitdiff \| raw \| diff to current
2019-09-19	Paul Bauer	Add basic interface to run update on GPU	blob \| commitdiff \| raw \| diff to current
2019-09-18	Szilárd Páll	Set up workload data structures	blob \| commitdiff \| raw \| diff to current
2019-09-18	Alan Gray	GPU Force Halo Exchange	blob \| commitdiff \| raw \| diff to current
2019-09-17	Pascal Merz	Make modular simulator the default code path for md...	blob \| commitdiff \| raw \| diff to current
2019-09-16	Alan Gray	GPU halo exchange	blob \| commitdiff \| raw \| diff to current
2019-09-12	Berk Hess	Enable TPI with the Verlet cut-off scheme	blob \| commitdiff \| raw \| diff to current
2019-09-10	Mark Abraham	Use more RAII semantics with t_commrec	blob \| commitdiff \| raw \| diff to current
2019-09-06	Mark Abraham	Clean up commrec uniformly	blob \| commitdiff \| raw \| diff to current
2019-09-06	Christian Blau	Periodic boundary correction for density fitting	blob \| commitdiff \| raw \| diff to current
2019-09-05	Christian Blau	Add reference density file option to densityfitting	blob \| commitdiff \| raw \| diff to current
2019-09-04	Szilárd Páll	Centralize more MD/force shedule flags	blob \| commitdiff \| raw \| diff to current
2019-09-02	Mark Abraham	Move initialization of clFFT	blob \| commitdiff \| raw \| diff to current
2019-09-01	Christian Blau	Add checkpointing for MdModules	blob \| commitdiff \| raw \| diff to current
2019-08-26	Christian Blau	Activation of density fitting and move of module notifi...	blob \| commitdiff \| raw \| diff to current
2019-08-23	Mark Abraham	Update clang-tidy to clang version 8	blob \| commitdiff \| raw \| diff to current
2019-08-22	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-08-14	Christian Blau	Internal parameter storage for IMDModules	blob \| commitdiff \| raw \| diff to current
2019-08-08	Christian Blau	Provide callbacks/notifications for MDModules	blob \| commitdiff \| raw \| diff to current
2019-08-05	Pascal Merz	Move ownership of kinetic energy object to ISimulator	blob \| commitdiff \| raw \| diff to current
2019-08-05	Pascal Merz	Introduce SimulatorBuilder	blob \| commitdiff \| raw \| diff to current
2019-08-02	Pascal Merz	Introduce Simulator base class	blob \| commitdiff \| raw \| diff to current
2019-08-01	Mark Abraham	Merge "Merge release-2019 into master"	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-07-31	Pascal Merz	Rename Simulator to LegacySimulator	blob \| commitdiff \| raw \| diff to current
2019-07-31	Szilárd Páll	Move cycle counting into the GPU bonded module	blob \| commitdiff \| raw \| diff to current
2019-07-31	Szilárd Páll	Report when development feature flags are used	blob \| commitdiff \| raw \| diff to current
2019-07-29	Berk Hess	Add initialization to t_nrnb	blob \| commitdiff \| raw \| diff to current
2019-07-25	Szilárd Páll	Only stop the CUDA profiler if there are devices	blob \| commitdiff \| raw \| diff to current
2019-07-05	Kevin Boyd	Change error message when attempting to offload to...	blob \| commitdiff \| raw \| diff to current
2019-07-05	Berk Hess	Change affinity enum to enum class	blob \| commitdiff \| raw \| diff to current
2019-07-01	Berk Hess	Fix MPI deadlock in affinity setting	blob \| commitdiff \| raw \| diff to current
2019-06-30	Kevin Boyd	Remove group scheme checks from runner	blob \| commitdiff \| raw \| diff to current
2019-06-19	Berk Hess	Refactor PME atom handling	blob \| commitdiff \| raw \| diff to current
2019-06-18	Mark Abraham	Move code handling mdrun -gpu_id to taskassignment...	blob \| commitdiff \| raw \| diff to current
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-06-11	Mark Abraham	Use RAII approaches for hardware information detection	blob \| commitdiff \| raw \| diff to current
2019-05-25	Pascal Merz	Rename Integrator class	blob \| commitdiff \| raw \| diff to current
2019-05-24	Mark Abraham	Reorder code before thread-MPI spawns threads	blob \| commitdiff \| raw \| diff to current
2019-05-22	Mark Abraham	Rewrite starting behavior	blob \| commitdiff \| raw \| diff to current
2019-05-22	Mark Abraham	Introduce tri-state enums for restarts	blob \| commitdiff \| raw \| diff to current
2019-05-22	Mark Abraham	Move functionality to mdrunutility	blob \| commitdiff \| raw \| diff to current
2019-05-03	Paul Bauer	Replace t_grps with std::vector	blob \| commitdiff \| raw \| diff to current
2019-05-03	Berk Hess	Convert manage_threading_t and gmx_enerdata_t to C++	blob \| commitdiff \| raw \| diff to current
2019-04-30	Berk Hess	Convert DispersionCorrection to a class	blob \| commitdiff \| raw \| diff to current
2019-04-18	Mark Abraham	Move pull work struct out of inputrec	blob \| commitdiff \| raw \| diff to current
2019-04-18	Mark Abraham	Improve swapcoords session lifetime management	blob \| commitdiff \| raw \| diff to current
2019-04-17	Berk Hess	Remove group scheme search code	blob \| commitdiff \| raw \| diff to current
2019-04-16	Szilárd Páll	Move functions operating on enerdata out of force.cpp	blob \| commitdiff \| raw \| diff to current
2019-04-16	Berk Hess	Make mdrun -nsteps work again.	blob \| commitdiff \| raw \| diff to current
2019-04-10	Mark Abraham	Start making IMD and swap model IMDModule	blob \| commitdiff \| raw \| diff to current
2019-04-10	Mark Abraham	Make ImdSession into a Pimpl-ed class with factory...	blob \| commitdiff \| raw \| diff to current
2019-04-10	Mark Abraham	Reform IMD module	blob \| commitdiff \| raw \| diff to current
2019-04-04	Carsten Kutzner	Early exit from mdrun if group scheme is detected in...	blob \| commitdiff \| raw \| diff to current
2019-04-02	Paul Bauer	Refactor gmx_group_t to SimulationAtomGroups	blob \| commitdiff \| raw \| diff to current
2019-04-01	Mark Abraham	Move MDModules initialization earlier	blob \| commitdiff \| raw \| diff to current
2019-04-01	Mark Abraham	Move enerdata ownership to mdrunner	blob \| commitdiff \| raw \| diff to current
2019-03-27	Prashanth Kanduri	Getting rid of use_GPU(nbv) function	blob \| commitdiff \| raw \| diff to current
2019-03-08	Berk Hess	Clean up calc_verlet_buffer_size()	blob \| commitdiff \| raw \| diff to current
2019-03-07	Mark Abraham	Eliminate mdlib/mdrun.h	blob \| commitdiff \| raw \| diff to current
2019-03-06	Mark Abraham	Revert "Eliminate mdlib/mdrun.h"	blob \| commitdiff \| raw \| diff to current
2019-03-06	Mark Abraham	Eliminate mdlib/mdrun.h	blob \| commitdiff \| raw \| diff to current
2019-03-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-02-28	Berk Hess	Use unique_ptr in nonbonded_verlet_t	blob \| commitdiff \| raw \| diff to current
2019-02-27	Berk Hess	Use new/delete for t_forcerec	blob \| commitdiff \| raw \| diff to current
2019-02-26	Prashanth Kanduri	Moving finish_run(...) to runner.cpp	blob \| commitdiff \| raw \| diff to current
2019-02-25	Mark Abraham	Move code out of sim_util.cpp	blob \| commitdiff \| raw \| diff to current
2019-02-20	Paul Bauer	Merge "Merge branch 'release-2019' into master"	blob \| commitdiff \| raw \| diff to current
2019-02-20	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-02-16	Berk Hess	Move nbnxn files to nbnxm directory	blob \| commitdiff \| raw \| diff to current
2019-02-15	Mark Abraham	Improved diagnostics when PME cannot run on GPUs	blob \| commitdiff \| raw \| diff to current
2019-02-13	Szilárd Páll	Minor refactoring in mdrunnner	blob \| commitdiff \| raw \| diff to current
2019-02-12	Szilárd Páll	Minor refactor of gpuid / task mapping parsing	blob \| commitdiff \| raw \| diff to current
2019-02-04	Roland Schulz	Rename all source files from - to _ for consistency.	blob \| commitdiff \| raw \| diff to current
2019-02-04	Roland Schulz	Replace compat::make_unique with std::make_unique	blob \| commitdiff \| raw \| diff to current
2019-02-02	Roland Schulz	Renamed listed-forces to listed_forces	blob \| commitdiff \| raw \| diff to current
2019-01-30	Mark Abraham	Merge remote branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-01-23	Roland Schulz	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-01-23	Roland Schulz	Merge release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-01-07	Mark Abraham	Finish removing group-scheme all-vs-all support	blob \| commitdiff \| raw \| diff to current
2019-01-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
next

Local GROMACS mirror with custom stuff

RSS Atom