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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
2021-11-04
Berk Hess
Clean up index handing in make_bondeds_zone
tree
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commitdiff
2021-11-03
Andrey Alekseenko
Fix random typos
tree
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commitdiff
2021-10-30
Andrey Alekseenko
Set up event consumption counter in DomDecMpiTests
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commitdiff
2021-10-29
Mark Abraham
Generalize constraints on MPI rank counts for tests
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commitdiff
2021-10-26
Alan Gray
Insert barrier after each GPU halo test
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
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commitdiff
2021-10-13
Andrey Alekseenko
Fix clang-tidy complaints
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commitdiff
2021-10-06
Alan Gray
Rework GPU halo and state propagator streams and depend...
tree
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commitdiff
2021-09-25
Berk Hess
Replace DOMAINDECOMP macro by a renamed function
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commitdiff
2021-09-24
Berk Hess
Also use DD partitioning in serial
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commitdiff
2021-09-23
Mark Abraham
Use ObservablesReducer for check of DD bonded interacti...
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commitdiff
2021-09-16
Artem Zhmurov
Miscellaneous doxygen fixes
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-09-02
Berk Hess
Minor clean-up and optimization in DD topology
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commitdiff
2021-08-27
Gaurav Garg
Disable DLB if GPU direct communication Halo exchange...
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commitdiff
2021-08-25
Berk Hess
Enable atom reordering in WholeMoleculeTransform
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-18
Mark Abraham
Ensure restart with update groups always works
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commitdiff
2021-08-18
Berk Hess
Fix mdrun -ddorder pp_pme
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commitdiff
2021-08-16
Artem Zhmurov
Add common header to GpuEventSynchronizer
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-17
Mark Abraham
Rework -Weverything
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commitdiff
2021-06-09
Andrey Alekseenko
Remove some unused-but-set variables
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commitdiff
2021-06-08
Mark Abraham
Unite the post-DD-partition update of the local topology
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commitdiff
2021-06-07
Mark Abraham
Add hasPerturbedChargeIn14Interaction to atomInfo bits
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commitdiff
2021-06-07
Mark Abraham
Make LocalTopologyChecker class and hide implementation...
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commitdiff
2021-06-04
Mark Abraham
Convert atomInfo to int64_t
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commitdiff
2021-06-03
Mark Abraham
Remove useless charge-group work during repartitioning
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commitdiff
2021-06-03
Mark Abraham
Remove preprocessor usage for atomInfo
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commitdiff
2021-05-31
Mark Abraham
Finish breaking up domdec_topology.cpp
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commitdiff
2021-05-31
Mark Abraham
Move total bonded count to LocalTopologyChecker
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commitdiff
2021-05-31
Mark Abraham
Split localtopology from domdec_topology
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commitdiff
2021-05-31
Mark Abraham
Partial renaming of cginfo to atom info
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commitdiff
2021-05-28
Mark Abraham
Compute global bonded interaction count from system...
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commitdiff
2021-05-27
Mark Abraham
Remove orphaned code
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commitdiff
2021-05-27
Mark Abraham
Move reverse topology code to its own translation unit
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commitdiff
2021-05-27
Artem Zhmurov
Rename GpuBonded into ListedForcesGpu
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commitdiff
2021-05-27
Mark Abraham
Move the code of what will later implement LocalTopolog...
tree
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commitdiff
2021-05-26
Dmitry Morozov
Moved PME-only ranks check to domain decomposition...
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commitdiff
2021-05-24
Paul Bauer
Apply clang-tidy-11 fixes to CUDA files
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commitdiff
2021-05-24
Berk Hess
Fix incorrectly sized ga2la hash table
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commitdiff
2021-05-21
Pascal Merz
Expose DD distribution of free energy history
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commitdiff
2021-05-19
Joe Jordan
Clean up some headers in mdlib
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commitdiff
2021-05-18
Joe Jordan
Fix several doxygen errors
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commitdiff
2021-05-17
Mark Abraham
Refactor gmx_reverse_top_t
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
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commitdiff
2021-05-13
Mark Abraham
Decouple update group handling from domain decompositio...
tree
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commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-05-06
Paul Bauer
Remove UB in ArrayRef from array
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commitdiff
2021-05-05
Mark Abraham
Break up dd_init_bondeds
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commitdiff
2021-05-04
ejjordan
Remove mdatoms from vsite
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commitdiff
2021-05-04
ejjordan
Preven extension of DDBondedChecking
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commitdiff
2021-05-04
Mark Abraham
Decouple update-group aspects of vsites and constraints
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commitdiff
2021-05-04
Mark Abraham
Remove some use of charge groups from domdec
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commitdiff
2021-05-03
Berk Hess
Clean up DD bonded interaction assignment
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commitdiff
2021-05-03
Mark Abraham
Replace bool with enum class in DomdecOptions
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commitdiff
2021-05-03
Joe Jordan
ArrayRef in pme
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commitdiff
2021-04-22
Mark Abraham
More renaming for UpdateGroups
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commitdiff
2021-04-21
Mark Abraham
Use consistent naming for update groups
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commitdiff
2021-04-20
Paul Bauer
Fix possible UB in ArrayRef construction
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commitdiff
2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
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commitdiff
2021-04-14
Paul Bauer
Modernize wallcycle counting
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commitdiff
2021-04-13
Gaurav Garg
Remove thread-MPI limitation for GPU PP Halo exchange
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commitdiff
2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
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commitdiff
2021-04-02
Paul Bauer
Replace gmx_mtop_ilistloop_all
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commitdiff
2021-04-02
ejjordan
Move domdec/partition into gmx namespace; minor cleanup
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commitdiff
2021-03-30
Mark Abraham
Move responsibility for checking bondeds in reverse...
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commitdiff
2021-03-29
Joe Jordan
Move nsgrid header/source from mdlib to domdec
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commitdiff
2021-03-25
Joe Jordan
Use ArrayRef in signatures of constraints and some...
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commitdiff
2021-03-23
ejjordan
Forward declare ArrayRef more and inlcude basedefinitio...
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commitdiff
2021-03-23
ejjordan
More const ref in shellfc
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commitdiff
2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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commitdiff
2021-03-19
ejjordan
Use ArrayRef in gmx_pme_send_parameters
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commitdiff
2021-03-19
ejjordan
Use const refs in atoms2md signature
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commitdiff
2021-03-16
Joe Jordan
Use RVec and std::array in gmx_domdec_comm_t
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commitdiff
2021-03-16
Joe Jordan
Remove conditional assignemnt of cell sizes from domdec...
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commitdiff
2021-03-15
Paul Bauer
Move M_PI definition to math/units.h
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commitdiff
2021-03-12
Alan Gray
Move responsibility for GPU force clearing to state...
tree
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-03-02
Paul Bauer
Modernize atom enums
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commitdiff
2021-03-02
Paul Bauer
Fix nightly clang-tidy build
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commitdiff
2021-02-28
Joe Jordan
Use more const ref in domdec API
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commitdiff
2021-02-26
Joe Jordan
Only use const ref for mtop and inputrec in domdec
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commitdiff
2021-02-24
Paul Bauer
Rework state checkpoint enum handling
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commitdiff
2021-02-23
Artem Zhmurov
Fix doxygen in domdec
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commitdiff
2021-02-22
Mark Abraham
Hide newly exposed domdec internals
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commitdiff
2021-02-22
Joe Jordan
Hold unique_ptr for interaction_const in forcerec
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commitdiff
2021-02-22
Paul Bauer
Remove raw pointer to gmx_reverse_top
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commitdiff
2021-02-22
Berk Hess
Reduce use of gmx_domdec_t in domdec_topology.cpp
tree
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commitdiff
2021-02-22
Paul Bauer
Refactor md_enums
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commitdiff
2021-02-19
Berk Hess
Clean up DD reverse topology options
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commitdiff
2021-02-18
ejjordan
Use array in gmx_domdec_zones_t
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commitdiff
2021-02-18
Pascal Merz
Implement velocity terms for virtual sites
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
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commitdiff
2021-02-12
Mark Abraham
Improve CUDA codegen flags
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commitdiff
2021-02-11
Artem Zhmurov
Fix MPI build
tree
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commitdiff
2021-02-09
Pascal Merz
Make temperature and pressure coupling enums enum classes
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commitdiff
2021-02-07
Andrey Alekseenko
Replace custom implementations of GCD with std::gcd
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commitdiff
2021-02-05
Paul Bauer
Clean up domdec again after clang-tidy-11 fixes
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commitdiff
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