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Unify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE_GPU_TIMING
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/
atomdata.cpp
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-06-04
Mark Abraham
Convert atomInfo to int64_t
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2021-06-03
Mark Abraham
Remove preprocessor usage for atomInfo
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2021-05-11
Mark Abraham
Apply clang-format-11
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-27
Joe Jordan
Unify constructor of nbnxn_atomdata_t
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2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
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2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
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2021-03-30
kanduri
Turn t_forcerec.shift_vec into an std::vector of gmx...
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2021-03-27
Andrey Alekseenko
Avoid enqueueing the same event multiple times in nbnxn...
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2021-03-10
Joe Jordan
Remove param fillLocal, which was always false, from...
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-12
Paul Bauer
Remove unused function
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2021-02-10
Andrey Alekseenko
Fix clang-tidy-11 errors in NBNXM module, part 4
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2021-02-09
Mark Abraham
Remove tree-reduce algorithm
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2021-02-04
Artem Zhmurov
Make LJ combination rule enum into an enum class
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2021-02-01
Mark Abraham
Remove x86 MIC support
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-11-11
Andrey Alekseenko
Make eelType and evdwType scoped enums, + cleanup
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-29
Alan Gray
Redevelopment of GPU Force Reduction/Buffer Ops
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-06-08
Kevin Boyd
Replace nbnxn_buffer_flags_t with vector
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2020-05-20
Berk Hess
Remove t_mdatoms from Nbnxm setAtomProperties()
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2020-05-12
Paul Bauer
Fix archive build
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-14
Mark Abraham
Fix more clang warnings
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-06
Artem Zhmurov
Use RVec instead of float for x, v and f device buffers
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-27
Mark Abraham
Make NbnxnGpu class with constructor
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2020-01-16
Mark Abraham
Make nbnxm headers more self-contained
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
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2019-11-30
Paul Bauer
Merge origin/release-2020 into master
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-21
Mark Abraham
Merge branch release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-14
Berk Hess
Simplify t_forcerec destruction
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-23
Berk Hess
Move locality.h from nbnxm to mdtypes
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2019-10-15
Szilárd Páll
Link GPU coordinate producer and consumer tasks
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2019-10-10
Szilárd Páll
Pass list of EventSynchronizers to GPU reduction
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2019-10-08
Berk Hess
Make nbnxm a proper module
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2019-10-01
Artem Zhmurov
StatePropagatorDataGpu object to manage GPU forces...
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-11
Artem Zhmurov
Fix for the post-submit failure
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2019-09-11
Artem Zhmurov
Decouple GPU force buffer management from buffer ops...
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2019-09-11
Artem Zhmurov
Decouple coordinates buffer management from buffer...
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2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-20
Berk Hess
Use shiftForces in ForceOuputs
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2019-08-15
Alan Gray
PME reduction for CUDA F buffer operations
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-19
Alan Gray
F buffer operations in CUDA
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2019-07-01
Alan Gray
Bug fix and simplification for CUDA X Buffer Ops
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2019-06-17
Berk Hess
Simplify GPU nbnxm x conversion
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2019-05-29
Szilárd Páll
Template x buffer ops call on whether GPU is used
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2019-05-10
Alan Gray
Position buffer ops in CUDA
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2019-04-25
Szilárd Páll
Avoid using AtomLocality::Count as a valid value
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2019-04-17
Berk Hess
Simplify nbnxm shift force handling
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2019-03-28
Berk Hess
Simplify nbnxm final force reduction
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2019-03-28
Berk Hess
Move early return for nbnxm force reduction
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2019-03-28
Roland Schulz
Fix UB vector usage
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2019-03-19
Berk Hess
Reduce dependencies of nbnxn_atomdata_t
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2019-03-15
Berk Hess
Change nbnxn_search to class PairSearch
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2019-03-14
Berk Hess
Add nbnxm GridSet class
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2019-03-05
Berk Hess
Turn nbnxn_grid_t into a class
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-28
Berk Hess
Use unique_ptr in nonbonded_verlet_t
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2019-02-23
Berk Hess
Hide internals of nbnxm parlist
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2019-02-21
Berk Hess
Clean up nbnxm enums
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-17
Berk Hess
Use enum class for nbnxm locality
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2019-02-17
Berk Hess
Extract nbnxm grid.h and pairlistwork.h
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2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
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