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2018.3
subsequent patch release
100%
20 issues
(
20 closed
— 0 open)
Issues by
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Status
Priority
Author
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Bug
17/17
Feature
1/1
Task
2/2
Related issues
Bug #2470
: memory leak in OpenCL runs with
Bug #2474
: Double free/corruption for gmx solvate when topol.tpr explicitly listed as input argument and gmx built with mpi
Bug #2502
: nonbonded interactions go missing with GPU when an empty domain goes non-empty
Bug #2554
: write lowest energy coordinates fail with CG
Bug #2557
: make_gromos_rtp.py has a sytax error
Bug #2558
: gmx polystat mis-uses nmol
Bug #2561
: Incorrectly getting "Enabling single compilation unit for the CUDA non-bonded module." when using Cuda 9.0 and gromacs 2018.1
Bug #2575
: gromacs 2018.2 "gmx rmsf -oq pdb"
Bug #2578
: with PME on GPU, EM setup does not propagate state->x pinning settings
Bug #2583
: CUDA host compiler check is not retriggered
Bug #2588
: anyTrue(SimdDIBool) implementation for AVX_256, double precision
Bug #2591
: Log reports incorrect version of hwloc
Bug #2613
: Pairlist buffer set incorrectly with BD
Bug #2614
: mdrun can exit with atom moved to far in DD or PME due to too small domains
Bug #2617
: QM/MM ONIOM scheme segvaults
Bug #2618
: error resetting QM/MM neighbour list in case of QMMMscheme = Onion
Bug #2619
: Segfault in gmx trjconv
Feature #1929
: gmx solvate only updates topology when the solvent is "SOL"
Task #2359
: r2018 docs tweaks/corrections necessary
Task #2593
: work around denorm handling performance penalty on AMD Vega
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