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Fix incorrect GPU update task assignment fallback
[alexxy/gromacs.git]
/
docs
/
2020-02-04
Berk Hess
Actually fix PME forces with FE without perturbed q/LJ
tree
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commitdiff
2020-01-24
Szilárd Páll
Fix deadlock in PP-PME balancing startup delay
tree
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commitdiff
2020-01-23
Berk Hess
Fix DD rank count prime check
tree
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commitdiff
2020-01-17
Paul Bauer
Actually fix Gitlab doc build
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commitdiff
2020-01-17
Paul Bauer
Fix bad link in developer docs
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commitdiff
2020-01-17
Berk Hess
Add check for shells and GPU update
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commitdiff
2020-01-16
Berk Hess
Correct fixed redmine issue id from 3297 to 3296
tree
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commitdiff
2020-01-15
Berk Hess
Fix multisim with parallel simulation
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commitdiff
2020-01-10
Szilárd Páll
Improve mdrun performance user guide
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
tree
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commitdiff
2020-01-07
Roland Schulz
Workaround for ICC 19u5 and 20initial
tree
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commitdiff
2020-01-07
Roland Schulz
Add support for ICC NextGen with MKL
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commitdiff
2020-01-03
M. Eric Irrgang
Remove transitional links for online gmxapi Python...
tree
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commitdiff
2020-01-01
Paul Bauer
Prepare for 2020.1
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commitdiff
2020-01-01
Paul Bauer
GROMACS 2020 release
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commitdiff
2020-01-01
Paul Bauer
Revert "GROMACS 2020 release"
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commitdiff
2020-01-01
Paul Bauer
GROMACS 2020 release
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commitdiff
2019-12-31
Artem Zhmurov
Add description of GMX_FORCE_UPDATE_DEFAULT_GPU dev...
tree
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commitdiff
2019-12-28
Artem Zhmurov
Change the behavior of the GPU update UI
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commitdiff
2019-12-28
M. Eric Irrgang
Resolve CMake ambiguities for gmxapi Python package...
tree
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commitdiff
2019-12-28
Paul Bauer
Change releng to give information about Gitlab
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commitdiff
2019-12-28
Paul Bauer
Extend information for GPU update
tree
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commitdiff
2019-12-28
Mark Abraham
Merge "Merge origin/release-2019 into release-2020...
tree
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commitdiff
2019-12-28
Paul Bauer
Remove membed from features
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commitdiff
2019-12-28
Paul Bauer
Deprecate support for Armv7
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
tree
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commitdiff
2019-12-27
M. Eric Irrgang
Update intersphinx configuration.
tree
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commitdiff
2019-12-26
M. Eric Irrgang
Set Sphinx default role.
tree
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commitdiff
2019-12-26
M. Eric Irrgang
Fix external web link.
tree
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commitdiff
2019-12-26
M. Eric Irrgang
Clean up Sphinx interpreted text in the default role.
tree
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commitdiff
2019-12-23
Paul Bauer
Prepare for GROMACS 2019.6
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commitdiff
2019-12-23
Paul Bauer
GROMACS version 2019.5
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commitdiff
2019-12-20
Alan Gray
Add user guide doc for GPU buffer ops and comms env...
tree
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commitdiff
2019-12-20
Paul Bauer
Fix wrong header in release notes
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commitdiff
2019-12-20
Christian Blau
Remove problematic output of gmx angle
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commitdiff
2019-12-20
Szilárd Páll
Enable buffer ops when GMX_GPU_DD_COMMS is set
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commitdiff
2019-12-19
Alan Gray
Release note for GPU direct communications
tree
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commitdiff
2019-12-19
Szilárd Páll
PP-PME load balancing improvements
tree
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commitdiff
2019-12-19
M. Eric Irrgang
Add issue tracking for deprecations.
tree
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commitdiff
2019-12-18
M. Eric Irrgang
Update reference to uncrustify and clang-format.
tree
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commitdiff
2019-12-18
Berk Hess
Change grompp decoupling SD warning to note
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commitdiff
2019-12-17
Paul Bauer
Set correct dependency for doc build on gmxapi
tree
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commitdiff
2019-12-17
Szilárd Páll
Add wallcycle counting to StatePropagatorDataGpu
tree
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commitdiff
2019-12-17
M. Eric Irrgang
Be more specific with clang-format suggestions.
tree
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commitdiff
2019-12-16
Szilárd Páll
Fix the GPU bonded stream with 1 PP + 1 PME rank
tree
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commitdiff
2019-12-16
Paul Bauer
Fix torsion angle calculation
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commitdiff
2019-12-13
Paul Bauer
Check for using correct hwloc headers and runtime
tree
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commitdiff
2019-12-12
Christian Blau
Densityfitting - enforce similarity increase with adapt...
tree
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commitdiff
2019-12-11
Artem Zhmurov
Clarify what setting zero to some output mdp options...
tree
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commitdiff
2019-12-11
M. Eric Irrgang
gmxapi landing page update.
tree
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commitdiff
2019-12-11
M. Eric Irrgang
gmxapi documentation readability improvements.
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commitdiff
2019-12-11
M. Eric Irrgang
gmxapi documentation formatting improvements.
tree
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commitdiff
2019-12-06
M. Eric Irrgang
Add notes on MPI with gmxapi Python package.
tree
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commitdiff
2019-12-06
Christian Blau
Change arbitrary units to counts in RMSD distance distr...
tree
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commitdiff
2019-12-06
M. Eric Irrgang
gmxapi Python package usage prose.
tree
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commitdiff
2019-12-01
Paul Bauer
Use DOI for citing in reference manual section
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commitdiff
2019-11-29
Berk Hess
Merge "Merge branch release-2019 into release-2020...
tree
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
tree
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commitdiff
2019-11-28
Berk Hess
Update documenation for NPT GPU update
tree
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commitdiff
2019-11-28
Berk Hess
Remove assertion failure in AWH without initial stage
tree
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commitdiff
2019-11-26
Berk Hess
Fix issues with AWH with periodic pulling
tree
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commitdiff
2019-11-25
Christian Blau
Fix duplicate CONNECT records in pdb files
tree
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commitdiff
2019-11-25
Christian Blau
Read mrc density map format with all endianesses.
tree
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commitdiff
2019-11-20
Vedran Miletić
Fix building on Solaris with GCC
tree
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
tree
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commitdiff
2019-11-20
M. Eric Irrgang
Remove stub content from gmxapi docs.
tree
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commitdiff
2019-11-19
Mark Abraham
Updated release notes for CODATA update
tree
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commitdiff
2019-11-18
Berk Hess
Fix intermolecular interactions with DD
tree
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commitdiff
2019-11-17
M. Eric Irrgang
Remove extraneous file.
tree
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commitdiff
2019-11-17
M. Eric Irrgang
Add transitional links for online gmxapi Python package...
tree
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commitdiff
2019-11-12
Paul Bauer
Indicate which versions are no longer supported
tree
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commitdiff
2019-11-07
Berk Hess
Fix .gro large box writing
tree
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commitdiff
2019-11-07
Christian Blau
Stochastic dynamics - document that nsttcouple is ignored
tree
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commitdiff
2019-11-06
Berk Hess
Deprecated sc-r-power=48
tree
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commitdiff
2019-11-06
Erik Lindahl
Work around broken Apple compilers in Mac OS 10.15
tree
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commitdiff
2019-11-06
Erik Lindahl
Work around broken Apple compilers in Mac OS 10.15
tree
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commitdiff
2019-11-04
Paul Bauer
Add build for clang-format
tree
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commitdiff
2019-11-04
Paul Bauer
Split up source code formatting scripts
tree
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commitdiff
2019-11-04
M. Eric Irrgang
Update gmxapi Python documentation instructions.
tree
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commitdiff
2019-11-03
M. Eric Irrgang
Update Sphinx link.
tree
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commitdiff
2019-11-03
M. Eric Irrgang
Fix typos.
tree
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commitdiff
2019-11-01
M. Eric Irrgang
Fix documentation typo.
tree
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commitdiff
2019-11-01
Paul Bauer
Prepare for 2020 beta 2
tree
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commitdiff
2019-11-01
Paul Bauer
Add validation of tarball builds
tree
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commitdiff
2019-10-31
M. Eric Irrgang
Improve uniformity of OS X CMake configuration.
tree
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commitdiff
2019-10-31
Berk Hess
Update GPU update restrictions
tree
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commitdiff
2019-10-30
Pascal Merz
Fix modular simulator documentation
tree
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commitdiff
2019-10-29
Berk Hess
Add mdrun GPU update documentation
tree
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commitdiff
2019-10-29
Paul Bauer
Merge "Merge branch 'release-2019' into master"
tree
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-10-23
Berk Hess
Fix illegal memory access in FE calculations
tree
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commitdiff
2019-10-21
Artem Zhmurov
Update the copyright message
tree
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commitdiff
2019-10-18
Christian Blau
Manual entry and .mdp option for adaptive force scaling
tree
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commitdiff
2019-10-18
Christian Blau
genion: prohibit ion placement close to non-solvent
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commitdiff
2019-10-15
M. Eric Irrgang
Add note about libpython requirement to gmxapi install...
tree
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commitdiff
2019-10-09
Berk Hess
Fix random energy and virial with PME on GPU on a PME...
tree
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commitdiff
2019-10-08
Berk Hess
Make nbnxm a proper module
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commitdiff
2019-10-03
M. Eric Irrgang
Build gmxapi documentation in main GROMACS documentation.
tree
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commitdiff
2019-10-02
Carsten Kutzner
Update the www link to the Doxygen documentation in...
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commitdiff
2019-10-02
Carsten Kutzner
Update the www link to the Doxygen documentation in...
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