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Extend task assignment code
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
runner.cpp
2017-11-24
Mark Abraham
Extend task assignment code
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2017-11-24
Berk Hess
Limit SMT with PME on GPU
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2017-11-24
Aleksei Iupinov
Pin coordinates, forces and charges for PME on GPU
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2017-11-17
Mark Abraham
Use HostAllocationPolicy for chargeA
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2017-11-16
Berk Hess
Also print 1x1 pair-list setup to log
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2017-11-09
Mark Abraham
Prepared t_mdatoms for using vector
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-11-01
Mark Abraham
Improve handling of GPU IDs
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2017-10-31
Mark Abraham
Update treatment of GPU compatibility data structure
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2017-10-31
Szilárd Páll
Fix nstlist increase warning print
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2017-10-30
Mark Abraham
Fix and update hw_info
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2017-10-30
Aleksei Iupinov
Simplify PME data handling in runner
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2017-10-27
Aleksei Iupinov
Remove defunct PME initialization error code return
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2017-10-24
Aleksei Iupinov
Move commrec duty checking into simple getters
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2017-10-21
Berk Hess
Merge "Merge branch release-2016"
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2017-10-21
Aleksei Iupinov
Add calls to the PME GPU stages
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-10-15
Berk Hess
Improve vsite parallel checking
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2017-10-13
Magnus Lundborg
Do not include headers related to ObservablesHistory
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2017-10-11
Mark Abraham
Cleaned up ewaldcoeff for PME-only ranks
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2017-10-09
Aleksei Iupinov
PME GPU/CUDA data framework.
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2017-10-06
Berk Hess
Add SIMD intrinsics version of simple update
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2017-10-03
Szilárd Páll
Move Ewald splitting-related code to ewald-utils
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2017-10-02
Berk Hess
Remove hybrid gpu+cpu nonbonded mode
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2017-09-25
Berk Hess
Set global state on master rank only
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-15
Berk Hess
Remove nb-parameters from t_forcerec
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2017-09-14
Mark Abraham
Form taskassignment module
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Szilárd Páll
Merge branch 'release-2016'
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2017-09-07
Mark Abraham
Introduce type-safe GPU emulation variables
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2017-09-06
Mark Abraham
Prepare Verlet scheme later in runner
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2017-09-05
Mark Abraham
Fix use of GPU information for thread-MPI setup
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-09-03
Berk Hess
Put mdrun options in structs
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2017-09-02
Berk Hess
Put all domdec options in a struct
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2017-09-02
M. Eric Irrgang
make a box parameter const
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2017-08-30
M. Eric Irrgang
normalize some C header includes
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2017-08-23
Mark Abraham
Stopped checkpoint influencing parallelism setup
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2017-08-22
Mark Abraham
Run GPU detection even for mdrun -nb cpu
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2017-08-22
Mark Abraham
Fixed thread-MPI with non-default -npme
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2017-08-22
Berk Hess
Enable dynamic pair list pruning
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-21
Mark Abraham
Moved increase_nstlist() to nbnxn_tuning.h
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2017-08-17
Mark Abraham
Replace consistency checking with assertion
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2017-08-16
Berk Hess
Add dynamic pair-list pruning framework
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2017-08-16
Mark Abraham
Parse user-supplied GPU task assignment only when needed
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2017-08-16
Mark Abraham
Moved logging functionality into GPU usage report
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-10
Mark Abraham
Clarify data flow in GPU task assignment
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2017-08-06
Mark Abraham
Simplify resource-division efficiency check
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2017-08-06
Mark Abraham
Split printhardware from detecthardware
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2017-08-06
Mark Abraham
Decouple task assignment from task execution
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2017-08-01
Mark Abraham
Introduced Mdrunner high-level class
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2017-07-24
Mark Abraham
Separated responsibility for consistency checking
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2017-07-20
Mark Abraham
Cleaned up bUseGpu in runner
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2017-07-20
Peter Kasson
Rework and rename gmx_select_gpu_ids
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2017-07-20
Mark Abraham
Stop duplicate printing of detected GPUs
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2017-07-18
Mark Abraham
Converted some const pointers into const references...
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2017-07-13
Mark Abraham
Cleaned up mdrunner_start_threads
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2017-07-01
Mark Abraham
Cleaned up GPU emulation logic
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2017-06-29
Teemu Murtola
Generalize IForceProvider
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2017-06-28
Mark Abraham
Cleaned up high-level boolean variable naming
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-06-22
Mark Abraham
Replace misnamed nbnxn_gpu_acceleration_supported
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2017-06-22
Mark Abraham
Consolidate and fix logic for mdrun -nb and -gpuid
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2017-06-21
Mark Abraham
Reform ngpu variable
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2017-06-21
Mark Abraham
Remove bUserSetGpuIds field
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2017-06-12
Mark Abraham
Move gmx_parse_gpu_id out of checking function
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2017-06-10
Berk Hess
Put replica exchange parameters in a struct
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2017-06-09
Carsten Kutzner
Moved essential dynamics initialization call into do_md()
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2017-05-22
Berk Hess
Introduce ObservablesHistory container
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-03-04
Teemu Murtola
Remove MDModules use from mdlib
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2017-02-27
Teemu Murtola
Decouple t_inputrec from MDModules
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2017-02-27
Teemu Murtola
Remove module references from t_inputrec
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-10
Teemu Murtola
Check log output in thread affinity tests
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2017-02-08
Teemu Murtola
Generic KeyValueTree broadcast
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2017-02-08
Gerrit Code Review
Merge "Merge branch release-2016"
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2017-02-08
Teemu Murtola
Generic tpr handling for electric field
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2017-02-07
Mark Abraham
Merge branch release-2016
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-21
Mark Abraham
Removed init_state
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2017-01-19
Aleksei Iupinov
PME B-Spline moduli computation unit test
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2017-01-14
Mark Abraham
Merge branch release-2016
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2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-12-20
Mark Abraham
Merge branch release-2016
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2016-12-12
Teemu Murtola
Merge branch release-2016
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2016-12-07
Mark Abraham
Merge branch release-2016
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2016-12-01
Aleksei Iupinov
Move GPU assignment functions into a separate file
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2016-11-23
Berk Hess
Convert energyhistory_t to use std::vector
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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biod.pnpi.spb.ru / alexxy / gromacs.git / history