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Remove logging from hardware detection
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
mdrun.cpp
2020-11-04
Mark Abraham
Remove logging from hardware detection
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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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2020-09-14
M. Eric Irrgang
Create and use SimulationInput module.
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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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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2019-10-01
Mark Abraham
Removed dependency on commrec of mdrun setup
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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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2019-09-19
Paul Bauer
Add basic interface to run update on GPU
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2019-09-11
Mark Abraham
Make gmx_multisim_t a C++ object
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2019-09-10
Mark Abraham
Use more RAII semantics with t_commrec
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-22
Mark Abraham
Rewrite starting behavior
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2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
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2019-05-22
Mark Abraham
Move functionality to mdrunutility
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2019-04-01
Mark Abraham
Move MDModules initialization earlier
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2019-03-28
Mark Abraham
Move DomdecOptions into its own header
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2019-03-20
Mark Abraham
Clean up mdrun help description
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2019-03-07
Mark Abraham
Eliminate mdlib/mdrun.h
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2019-03-06
Mark Abraham
Revert "Eliminate mdlib/mdrun.h"
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2019-03-06
Mark Abraham
Eliminate mdlib/mdrun.h
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-26
Mark Abraham
Clean up initial log output
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-08
Paul Bauer
Give error when rerun with identical file names
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-16
Mark Abraham
Task assignment for bonded interactions on CUDA GPUs
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2018-10-15
Mark Abraham
De-duplicating mdrun setup
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2018-10-15
M. Eric Irrgang
Preparation for de-duplicating mdrun setup
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2018-10-13
Mark Abraham
Deprecate various functionality in GROMACS 2019
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2018-10-11
Mark Abraham
Open mdrun log file only once
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2018-10-03
M. Eric Irrgang
Move mdrun mainFunction to client code.
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2018-09-26
Mark Abraham
Clarify distinct paths for mdrun log file handling
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2018-09-13
Mark Abraham
Eliminate main.h
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2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-08-18
Roland Schulz
clang-tidy: google tests applicable
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2018-08-18
Roland Schulz
Enable clang tidy/warnings for tests
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-05
Mark Abraham
Create gromacs/mdrun module and move code there
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2018-03-28
Mark Abraham
Merge branch release-2018
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-03-13
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-06
Berk Hess
Convert t_filenm to C++
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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2018 into master
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-13
Mark Abraham
Separate multisim from commrec
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2018-02-09
Mark Abraham
Merge branch release-2018
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-25
Mark Abraham
Removed mdrun -multi
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2018-01-17
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-16
Berk Hess
Avoid mdrun echoing "No option -multi"
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-04
Berk Hess
Update mdrun signal help text
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2017-11-27
Berk Hess
Enable auto thread pinning with thread limiting
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2017-11-24
Mark Abraham
Activate PME on GPUs
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2017-11-24
Mark Abraham
Extend task assignment code
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2017-11-02
Mark Abraham
Merge branch release-2016
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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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2017-10-02
Berk Hess
Remove hybrid gpu+cpu nonbonded mode
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2017-09-17
Mark Abraham
Merge branch release-2016
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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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2017-09-03
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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2017-09-01
Berk Hess
Fix mdrun -nb option pointer
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2017-08-30
M. Eric Irrgang
normalize some C header includes
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-17
Aleksei Iupinov
Merge "Merge branch release-5-1 into release-2016"...
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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