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2020
01/01/2020
Annual major release
100%
43 issues
(
43 closed
— 0 open)
Issues by
Tracker
Status
Priority
Author
Assignee
Category
Bug
19/19
Feature
8/8
Task
16/16
Related issues
Bug #1977
: warning: __WORDSIZE not defined
Bug #2668
: gmx anaeig entropy output are not consistent between runs
Bug #2815
: gmx msd -mol broken
Bug #2836
: Travis-CI configuration file is broken and obstructive
Bug #2843
: Building with GMX_BUILD_OWN_FFTW
Bug #2844
: Test SEGV with -DGMX_DOUBLE due to LAPACK
Bug #2858
: Group scheme C kernels fail in complext tests
Bug #2903
: gmx wham doesn't compute profile with pull=angle-axis
Bug #2990
: Deprecate Armv7
Bug #3024
: Bad logic for Sphinx detection CMake output
Bug #3161
: mdrun-test hangs with -ntmpi2
Bug #3238
: Incorrectly documented clang-format version.
Bug #3251
: Deprecations not tracked
Bug #3259
: -update gpu option silently ignored
Bug #3261
: Wrong heading in 2020 release notes
Bug #3269
: TPR file reading fails on systems with different endianess than those that generated the file
Bug #3270
: gmxapi Python package installation may have unsatisfied cmake package dependency
Bug #3276
: TPR file size is 4 times compared to those of the 2019 branch
Feature #1975
: grompp should warn if .mdp define does nothing
Feature #2615
: Switch to Python3
Feature #2887
: CUDA version of Leap Frog algorithm
Feature #2901
: Declare external Resources in mdp / tpr files.
Feature #2957
: add support for the Hygon Dhyana architecture
Feature #3022
: modernized naming for new GPU developments
Feature #3034
: Python gmxapi exception hierarchy
Feature #3087
: enable GPU peer to peer access
Task #2281
: Represent data on regularly spaced N-dimensional grids.
Task #2391
: re-enable TPI test
Task #2505
: increase cmake reqirement for GROMACS 2020
Task #2654
: make more symbols always defined
Task #2727
: Move non-analysis functions out of gmxana
Task #2730
: Add tests for gmx_genion
Task #2731
: Add test support for modifiable inputs to command line tools
Task #2893
: Integrate gmxapi Python package
Task #2894
: Wrap importable Python code.
Task #2895
: gmxapi Output proxy establishes execution dependency.
Task #2943
: Rename Integrator
Task #2945
: Give MdModules access to simulation resources (e.g. atom selection manager or communication infrastructure)
Task #3167
: GPU update path user documentation
Task #3188
: re-enalble parallel spline calculation for #threads/atoms > 4
Task #3208
: improve PP-PME tuning
Task #3248
: 2020 dev docs describe uncrustify requirement
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