biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Add dynamic pair-list pruning framework
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
runner.cpp
2017-08-16
Berk Hess
Add dynamic pair-list pruning framework
blob
|
commitdiff
|
raw
2017-08-16
Mark Abraham
Parse user-supplied GPU task assignment only when needed
blob
|
commitdiff
|
raw
|
diff to current
2017-08-16
Mark Abraham
Moved logging functionality into GPU usage report
blob
|
commitdiff
|
raw
|
diff to current
2017-08-10
Mark Abraham
Clarify data flow in GPU task assignment
blob
|
commitdiff
|
raw
|
diff to current
2017-08-06
Mark Abraham
Simplify resource-division efficiency check
blob
|
commitdiff
|
raw
|
diff to current
2017-08-06
Mark Abraham
Split printhardware from detecthardware
blob
|
commitdiff
|
raw
|
diff to current
2017-08-06
Mark Abraham
Decouple task assignment from task execution
blob
|
commitdiff
|
raw
|
diff to current
2017-08-01
Mark Abraham
Introduced Mdrunner high-level class
blob
|
commitdiff
|
raw
|
diff to current
2017-07-24
Mark Abraham
Separated responsibility for consistency checking
blob
|
commitdiff
|
raw
|
diff to current
2017-07-20
Mark Abraham
Cleaned up bUseGpu in runner
blob
|
commitdiff
|
raw
|
diff to current
2017-07-20
Peter Kasson
Rework and rename gmx_select_gpu_ids
blob
|
commitdiff
|
raw
|
diff to current
2017-07-20
Mark Abraham
Stop duplicate printing of detected GPUs
blob
|
commitdiff
|
raw
|
diff to current
2017-07-18
Mark Abraham
Converted some const pointers into const references...
blob
|
commitdiff
|
raw
|
diff to current
2017-07-13
Mark Abraham
Cleaned up mdrunner_start_threads
blob
|
commitdiff
|
raw
|
diff to current
2017-07-01
Mark Abraham
Cleaned up GPU emulation logic
blob
|
commitdiff
|
raw
|
diff to current
2017-06-29
Teemu Murtola
Generalize IForceProvider
blob
|
commitdiff
|
raw
|
diff to current
2017-06-28
Mark Abraham
Cleaned up high-level boolean variable naming
blob
|
commitdiff
|
raw
|
diff to current
2017-06-28
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-06-27
Roland Schulz
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-06-22
Mark Abraham
Replace misnamed nbnxn_gpu_acceleration_supported
blob
|
commitdiff
|
raw
|
diff to current
2017-06-22
Mark Abraham
Consolidate and fix logic for mdrun -nb and -gpuid
blob
|
commitdiff
|
raw
|
diff to current
2017-06-21
Mark Abraham
Reform ngpu variable
blob
|
commitdiff
|
raw
|
diff to current
2017-06-21
Mark Abraham
Remove bUserSetGpuIds field
blob
|
commitdiff
|
raw
|
diff to current
2017-06-12
Mark Abraham
Move gmx_parse_gpu_id out of checking function
blob
|
commitdiff
|
raw
|
diff to current
2017-06-10
Berk Hess
Put replica exchange parameters in a struct
blob
|
commitdiff
|
raw
|
diff to current
2017-06-09
Carsten Kutzner
Moved essential dynamics initialization call into do_md()
blob
|
commitdiff
|
raw
|
diff to current
2017-05-22
Berk Hess
Introduce ObservablesHistory container
blob
|
commitdiff
|
raw
|
diff to current
2017-05-09
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-03-31
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-03-14
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-03-04
Teemu Murtola
Remove MDModules use from mdlib
blob
|
commitdiff
|
raw
|
diff to current
2017-02-27
Teemu Murtola
Decouple t_inputrec from MDModules
blob
|
commitdiff
|
raw
|
diff to current
2017-02-27
Teemu Murtola
Remove module references from t_inputrec
blob
|
commitdiff
|
raw
|
diff to current
2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-02-10
Teemu Murtola
Check log output in thread affinity tests
blob
|
commitdiff
|
raw
|
diff to current
2017-02-08
Teemu Murtola
Generic KeyValueTree broadcast
blob
|
commitdiff
|
raw
|
diff to current
2017-02-08
Gerrit Code Review
Merge "Merge branch release-2016"
blob
|
commitdiff
|
raw
|
diff to current
2017-02-08
Teemu Murtola
Generic tpr handling for electric field
blob
|
commitdiff
|
raw
|
diff to current
2017-02-07
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-01-21
Mark Abraham
Removed init_state
blob
|
commitdiff
|
raw
|
diff to current
2017-01-19
Aleksei Iupinov
PME B-Spline moduli computation unit test
blob
|
commitdiff
|
raw
|
diff to current
2017-01-14
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
blob
|
commitdiff
|
raw
|
diff to current
2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-12-20
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-12-12
Teemu Murtola
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-12-07
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-12-01
Aleksei Iupinov
Move GPU assignment functions into a separate file
blob
|
commitdiff
|
raw
|
diff to current
2016-11-23
Berk Hess
Convert energyhistory_t to use std::vector
blob
|
commitdiff
|
raw
|
diff to current
2016-10-31
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-10-31
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-10-15
Berk Hess
Move energyhistory_t out of t_state
blob
|
commitdiff
|
raw
|
diff to current
2016-10-09
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-29
Berk Hess
Use std::vector in t_state
blob
|
commitdiff
|
raw
|
diff to current
2016-09-16
Berk Hess
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-15
Aleksei Iupinov
Move the PME Ewald coefficients to the PME structure
blob
|
commitdiff
|
raw
|
diff to current
2016-09-10
Aleksei Iupinov
Fix PME data destructor not being called
blob
|
commitdiff
|
raw
|
diff to current
2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-04
Berk Hess
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-09-02
Berk Hess
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-08-24
Berk Hess
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-08-15
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-07-23
Roland Schulz
Merge release-2016 into master
blob
|
commitdiff
|
raw
|
diff to current
2016-07-12
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-07-11
Mark Abraham
Fix gmx mdrun -membed -ntmpi -1
blob
|
commitdiff
|
raw
|
diff to current
2016-07-11
Erik Lindahl
Fix membed with partial revert of 29943f
blob
|
commitdiff
|
raw
|
diff to current
2016-07-09
Erik Lindahl
Hardware detection clean-up and pre/post-processing
blob
|
commitdiff
|
raw
|
diff to current
2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-07-07
Mark Abraham
Move consistency check for number of threads
blob
|
commitdiff
|
raw
|
diff to current
2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-27
Teemu Murtola
Factory for creating t_inputrec
blob
|
commitdiff
|
raw
|
diff to current
2016-06-27
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-23
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-22
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-19
Berk Hess
Remove warnings on checkpoint mismatch
blob
|
commitdiff
|
raw
|
diff to current
2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-06-01
Teemu Murtola
Use C++ replacement for md_logging.*
blob
|
commitdiff
|
raw
|
diff to current
2016-05-27
Mark Abraham
Fix reading of bonded tables
blob
|
commitdiff
|
raw
|
diff to current
2016-05-26
Mark Abraham
Merge branch release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-05-24
Teemu Murtola
Tests for single-rank thread affinity setting
blob
|
commitdiff
|
raw
|
diff to current
2016-05-21
Teemu Murtola
Pass number of local threads to thread affinity
blob
|
commitdiff
|
raw
|
diff to current
2016-05-21
Teemu Murtola
Use only HardwareTopology for thread affinity
blob
|
commitdiff
|
raw
|
diff to current
2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2016-05-05
Teemu Murtola
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-04-27
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-04-27
Teemu Murtola
Merge "Merge branch release-5-1"
blob
|
commitdiff
|
raw
|
diff to current
2016-04-19
Roland Schulz
Tune nstlist increase for KNL
blob
|
commitdiff
|
raw
|
diff to current
2016-04-14
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-03-30
Berk Hess
Correct mdrun tMPI (non-)parallel error message
blob
|
commitdiff
|
raw
|
diff to current
2016-03-21
Berk Hess
Moved pull initialization back to mdrunner
blob
|
commitdiff
|
raw
|
diff to current
2016-03-15
Mark Abraham
Merge branch release-5-0 into release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-03-11
Mark Abraham
Merge branch release-5-0 into release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-02-22
Mark Abraham
Move init of specialized dynamical algorithms to do_md
blob
|
commitdiff
|
raw
|
diff to current
2016-02-19
Mark Abraham
Merge branch release-5-1
blob
|
commitdiff
|
raw
|
diff to current
2016-02-16
Mark Abraham
Merge branch release-5-0 into release-5-1
blob
|
commitdiff
|
raw
|
diff to current
next
biod.pnpi.spb.ru / alexxy / gromacs.git / history