Project

General

Profile

Issues

Filters

Apply Clear

# Project Tracker Status Priority Subject Assignee Updated Target version
2615GROMACSFeatureNewNormalSwitch to Python308/18/2018 03:35 AMGROMACS - 2019
2614GROMACSBugFix uploadedNormalmdrun can exit with atom moved to far in DD or PME due to too small domainsBerk Hess08/17/2018 05:18 PMGROMACS - 2018.3
2613GROMACSBugFix uploadedNormalPairlist buffer set incorrectly with BDBerk Hess08/17/2018 10:43 AMGROMACS - 2018.3
2612GROMACSBugIn ProgressNormalHostAllocationPolicy shares pointers and pinning setting through shared_ptr08/15/2018 08:45 PM
2611GROMACSBugNewNormalissues with gpu_utils-test with GMX_BUILD_UNITTESTS=OFF and on OSX08/14/2018 07:03 PM
2610GROMACSFeatureNewNormalAPI status object08/14/2018 04:48 PM
2609GROMACSBugNewLowEvaluating PMF for angle rotations using gmx WHAM08/14/2018 03:15 AMGROMACS - future
2608GROMACSTaskNewNormalRemove code duplication between OpenCL and CUDA08/14/2018 09:04 AM
2607GROMACSBugNewNormalGrompp becomes extremely slow when many pull groups are present08/11/2018 08:54 AM
2606GROMACSBugNewNormalFree Energy Calculation -- Function type Fourier Dih. Not implemented in ip_pert08/10/2018 01:48 AM
2605GROMACSFeatureNewNormalLibrary access to MD runner08/09/2018 02:29 PM
2604GROMACSBugResolvedNormalgmx msd appears broken in master08/13/2018 10:15 AMGROMACS - 2019
2603GROMACSTaskNewNormalAdd ability to properly check coordinate files during testingPaul Bauer08/08/2018 05:58 PMGROMACS - 2019
2602GROMACSBugNewLowbuild information gets outdated if build tree is reused08/13/2018 09:04 PM
2601GROMACSFeatureNewNormalFree energy calculations, soft-core potentialVytautas Gapsys08/08/2018 03:32 PMGROMACS - future
2600GROMACSBugNewHighcoul-lambdas turns off all coulombic interactions in system instead of the molecule specificed in the couple-moltype08/07/2018 06:50 PM
2599GROMACSBugNewNormaldo_dssp works incorrectly with unknown residuesDavid van der Spoel08/13/2018 04:18 PMGROMACS - 2016.6
2598GROMACSBugNewNormalTools using read_next_x cannot read TNG files with sanitzers08/07/2018 05:21 PMGROMACS - 2019
2597GROMACSFeatureNewNormalgmx cluster improuvementDavid van der Spoel08/13/2018 04:19 PMGROMACS - 2016.6
2596GROMACSFeatureNewNormalConstant potential methodBenson Muite08/09/2018 03:50 PM
2595GROMACSTaskNewNormalReusable Utilities for SchedulesPrashanth Kanduri08/03/2018 10:50 AMGROMACS - future
2594GROMACSFeatureNewNormalMulti-level GMX APIPrashanth Kanduri08/02/2018 05:41 PMGROMACS - future
2592GROMACSFeatureResolvedNormalAllow compile caching with ccache08/09/2018 10:40 AM
2590GROMACSTaskNewNormalEssential Dynamics as module providing forcesChristian Blau08/10/2018 07:46 AMGROMACS - future
2589GROMACSBugNewNormalregressiontests/kernel coredumps on ppc64 (f29)07/25/2018 05:20 PM
2587GROMACSFeatureNewNormalProvide Context (e.g. to runner code) to manage client and runtime environment08/09/2018 01:20 PM
2586GROMACSFeatureNewNormalVersioned libgmxapi target for build, install, headers, docs08/09/2018 01:21 PM
2585GROMACSFeatureNewNormalInfrastructure supporting external API08/19/2018 07:29 PM
2584GROMACSBugAcceptedNormalregressiontests/complex fails on i68608/08/2018 05:18 PMGROMACS - 2018.3
2582GROMACSBugBlocked, need infoNormalCompilation issues with CUDA V9.1.85 and both gcc5 and gcc6 Szilárd Páll07/23/2018 07:46 PM
2581GROMACSFeatureNewNormalUser interface for hybrid Monte Carlo07/20/2018 03:41 PMGROMACS - 2019
2580GROMACSBugNewHighsc-coul option yields different free energy estimate on a ligand with zero partial charge07/19/2018 06:49 PM
2579GROMACSFeatureNewNormalAdd dimensionality option to gmx trjconv -center07/19/2018 04:53 PMGROMACS - future
2578GROMACSBugFeedback wantedNormalwith PME on GPU, EM setup does not propagate state->x pinning settingsMark Abraham08/16/2018 05:36 PMGROMACS - 2018.3
2577GROMACSBugNewHighpdb2gmx chainsep is brokenJoe Jordan08/08/2018 08:40 PMGROMACS - 2019
2576GROMACSBugNewNormalgmx potential -correct outputs the wrong potential07/25/2018 02:58 PM
2574GROMACSFeatureNewNormaliForceSchedule AbstractionPrashanth Kanduri07/25/2018 11:27 AMGROMACS - future
2573GROMACSBugNewHighDifferent mdp files describing the same change yield different free energy on the same trajectory07/19/2018 06:52 PM
2572GROMACSBugNewNormal1/viscosity output is wrong in gmx-2018.2, but OK in gmx-5.1.507/12/2018 11:18 AM
2570GROMACSFeatureNewNormalBetter string formatting and printing08/06/2018 06:43 AM
2569GROMACSTaskNewNormalannounce deprecations in GROMACS 2019Mark Abraham07/11/2018 10:52 PMGROMACS - 2019
2568GROMACSBugNewLowgmx editconf -rotate does not rotate the box07/10/2018 10:27 AMGROMACS - future
2567GROMACSBugNewNormalmake check fails at test 23 SIMD errors07/10/2018 09:35 AM
2566GROMACSTaskFeedback wantedNormalRefactor pdb2gmx into c++ framework08/05/2018 08:08 PMGROMACS - future
2564GROMACSBugNewNormalResult Summary Different For Jobs With Different Numbers of Nodes07/05/2018 02:39 PM
2563GROMACSBugNewNormalWindows 7 Compilation with GPU support07/02/2018 09:58 AM
2562GROMACSBugNewNormalClarify how to do float->int rounding08/09/2018 01:36 AM
2561GROMACSBugResolvedNormalIncorrectly getting "Enabling single compilation unit for the CUDA non-bonded module." when using Cuda 9.0 and gromacs 2018.1Szilárd Páll08/20/2018 11:07 AMGROMACS - 2018.3
2556GROMACSFeatureNewNormalmake default selections suitable for DNA and RNAMark Abraham06/20/2018 01:48 PM
2555GROMACSBugNewLowbuilding GROMACS 2018.207/03/2018 11:41 PM
(1-50/469) Per page: 25, 50, 100, 200

Also available in: Atom CSV PDF