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# 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2602GROMACSBugNewLowbuild information gets outdated if build tree is reused08/13/2018 09:04 PM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
2554GROMACSBugResolvedNormalwrite lowest energy coordinates fail with CGBerk Hess08/20/2018 10:30 AMGROMACS - 2018.3
2553GROMACSBugAcceptedNormalIncorrect COM velocity correction with frozen atomsBerk Hess06/12/2018 01:28 PMGROMACS - 2019
2549GROMACSBugResolvedNormalInconsistent graph PBC results with monomers connected by restraintsBerk Hess06/12/2018 12:00 PM
2548GROMACSFeatureNewLowUse metal for GPU acceleration in macOS07/12/2018 03:30 PM
2547GROMACSFeatureNewLowAdd option of averaging and obtaining error bars for AWH PMFsViveca Lindahl06/06/2018 11:31 AMGROMACS - future
2546GROMACSTaskNewNormalAdd more assertions to AWH codeViveca Lindahl06/06/2018 11:20 AMGROMACS - future
2545GROMACSFeatureNewNormalShould grompp fix periodicity of input files?David van der Spoel08/13/2018 02:06 PMGROMACS - 2019
2544GROMACSBugNewNormalgmx rmsf does not fix periodicity in reference structureDavid van der Spoel06/05/2018 02:14 PMGROMACS - 2018.3
2539GROMACSTaskResolvedNormalSupport hwloc 2.x.xKevin Boyd08/04/2018 10:30 PMGROMACS - 2019
2538GROMACSTaskNewNormalorganize more of the PME GPU code along task-specific linesMark Abraham05/31/2018 05:41 PM
2537GROMACSTaskNewNormalSimplify PME solve reductionAleksei Iupinov05/31/2018 05:14 PMGROMACS - 2019
2535GROMACSTaskNewNormalconsider compiling opencl fft kernels once05/31/2018 01:33 PM
2532GROMACSTaskNewNormalenable queue priorities in OpenCL05/29/2018 02:29 PM
2531GROMACSTaskNewLowConsider optimizing tabulated data access on GPU07/30/2018 12:31 PM
2530GROMACSTaskNewNormalconsider using CUDA Driver API05/29/2018 09:04 AMGROMACS - 2019
2529GROMACSTaskNewNormalImprove test timeouts handling05/28/2018 07:01 PMGROMACS - future
2528GROMACSTaskNewNormalPME GPU tuning05/29/2018 03:08 PMGROMACS - 2019
2527GROMACSTaskNewNormalRename GpuEventSynchronizer to something more fitting (after mergin PME OpenCL)05/28/2018 12:56 PMGROMACS - 2019
2526GROMACSBugNewNormalBug of gmx hbond05/30/2018 03:12 PM
2524GROMACSTaskNewNormalstruct alignment/packing for OpenCL host & device code05/29/2018 06:51 PMGROMACS - 2019
2522GROMACSTaskNewNormalOpenCL context duplication05/28/2018 03:13 PMGROMACS - 2019
2521GROMACSTaskNewNormalImplement alternating PME/NB wait for OpenCL05/25/2018 09:22 PM
2520GROMACSTaskNewNormalTreat OpenCL kernel width more diligently05/24/2018 06:21 PM
2519GROMACSTaskNewHighImprove/remove PME OpenCL kernel barriers05/24/2018 06:05 PM
2518GROMACSTaskNewNormalredesign task-assignment code for OpenCL05/23/2018 04:50 PMGROMACS - 2019
2516GROMACSTaskNewNormalSupport PME OpenCL execution width < 16Aleksei Iupinov05/24/2018 06:08 PM
2515GROMACSTaskNewHighclFFT RocM compatibility problem05/23/2018 12:32 PMGROMACS - 2019
2514GROMACSTaskNewNormalPME OpenCL reductions with intrinsics05/31/2018 12:27 AMGROMACS - future
2513GROMACSBugFeedback wantedNormalref_t and temperature incorrect with coulomb-type = userYu Du05/31/2018 04:05 PM
2512GROMACSBugNewNormalJob hanging after a few minutes on BlueGene/Q07/17/2018 09:19 AM
2510GROMACSFeatureIn ProgressNormalImplement update groupsBerk Hess05/22/2018 01:06 PMGROMACS - 2019
2505GROMACSTaskNewNormalconsider bumping cmake reqirement for GROMACS 2019Roland Schulz05/19/2018 07:57 PMGROMACS - 2019
2503GROMACSBugAcceptedNormalpost-submit has warningsMark Abraham05/31/2018 10:23 PM
2502GROMACSBugFix uploadedHighnonbonded interactions go missing with GPU when an empty domain goes non-empty08/10/2018 03:42 PMGROMACS - 2018.3
2501GROMACSTaskNewNormalDocumentation section on log file contentsKevin Boyd05/09/2018 08:57 PMGROMACS - 2019
2500GROMACSTaskBlocked, need infoNormaldetect and allow linking external clFFT07/30/2018 12:18 PMGROMACS - 2019
2498GROMACSTaskNewNormalOpenCL memory pinning/mapping05/18/2018 06:36 PMGROMACS - 2019
2496GROMACSTaskNewLowfind system xdr properly05/02/2018 02:19 PM
2495GROMACSTaskNewNormalreplace -noconfout with mdp optionMark Abraham04/27/2018 06:21 PMGROMACS - 2019
2492GROMACSTaskNewNormalimplement force calculation via ForceProviders containing collections of IForceProviderMark Abraham06/04/2018 10:57 PMGROMACS - 2019
2491GROMACSFeatureNewLowAllow constant bias AWH simulationsViveca Lindahl06/05/2018 10:38 PMGROMACS - future
2490GROMACSTaskNewNormalevaluate two-step communicatorsSzilárd Páll04/25/2018 02:52 PMGROMACS - 2019
2488GROMACSTaskNewNormaluse MPI non-blocking collectives to overlap pull comm04/25/2018 04:19 PM
2484TNG trajectory libraryBugResolvedNormalPush release tags to githubMagnus Lundborg04/19/2018 02:33 PMTNG trajectory library - version 1
2483GROMACSBugNewLowgmx dump writes mdp files that can not be parsed by gromppPaul Bauer05/25/2018 02:43 PM
2482GROMACSBugFeedback wantedNormalAtoms/molecules in freezegrps move and system crashes05/18/2018 07:13 PM
2481GROMACSTaskNewLowgmx check -m writes latex methods section, but has not been kept up to date04/30/2018 10:43 AMGROMACS - 2019
2480GROMACSBugNewNormalpdb2gmx does not protonate correctly for united-atom GromosMark Abraham06/13/2018 06:10 PMGROMACS - 2018.3
2478GROMACSTaskNewLowavoid use of getenv in static initialization04/13/2018 11:57 AM
2475GROMACSTaskNewNormalmake OpenCL 1st class-citizen in the build system04/10/2018 04:03 PMGROMACS - 2019
2474GROMACSBugNewNormalDouble free/corruption for gmx solvate when topol.tpr explicitly listed as input argument and gmx built with mpi08/14/2018 11:13 AMGROMACS - 2018.3
2473GROMACSBugNewNormalmdrun sometimes stalls due to large coordinates with no constraints04/04/2018 10:15 PM
2469GROMACSTaskNewNormalimplement GPU timer reduction for reporting03/27/2018 05:08 PM
2468GROMACSBugNewLowincorrect GPU timing reported with OpenCL and domain decomposition06/13/2018 06:11 PMGROMACS - 2018.3
2464GROMACSTaskNewNormalGPU performance goals overview03/26/2018 10:42 AM
2463GROMACSTaskNewLowPME GPU decomposition03/26/2018 10:42 AM
2462GROMACSTaskNewNormalconsider adding STL misuse tests03/23/2018 01:23 AM
2461GROMACSTaskNewNormalExpose more info from t_atom to trajectory analysis frameworkJoe Jordan03/22/2018 03:07 PMGROMACS - future
2460GROMACSBugNewNormalAllow inclusion of user libraries through CMake cache variables03/28/2018 08:47 PM
2456GROMACSTaskNewNormalAdd a pull module external potential tests03/15/2018 03:02 PM
2454GROMACSTaskNewNormalOpenCL infrastructure improvements05/31/2018 05:00 PMGROMACS - 2019
2453GROMACSTaskNewHighPME OpenCL porting effortAleksei Iupinov07/30/2018 05:52 PMGROMACS - 2019
2452GROMACSTaskIn ProgressNormalReduce data dependencies in mdrun algorithmsBerk Hess03/14/2018 08:47 PM
2451GROMACSFeatureNewNormalLinear virtual sites with fixed distanceDavid van der Spoel03/19/2018 09:16 AMGROMACS - 2019
2450GROMACSBugNewNormalOpenCL runtime version check missingSzilárd Páll03/14/2018 08:52 PMGROMACS - 2019
2448GROMACSTaskAcceptedNormalshould mdrun -multidir permit only one directory?03/21/2018 12:10 PM
2445GROMACSTaskNewNormalDecide if/how to check for incompatible user input to mdrun for bonds and vsites03/13/2018 02:02 PM
2442GROMACSTaskNewNormalPort gmx saxs and gmx sans to c++Joe Jordan06/28/2018 10:06 PMGROMACS - future
2438GROMACSTaskIn ProgressNormalbump OpenCL requirement to 1.2Szilárd Páll03/28/2018 05:32 PMGROMACS - 2019
2435GROMACSTaskNewNormalidentify and note about/tune task offload in GPU-bound runs03/02/2018 04:08 PM
2429GROMACSFeatureNewNormalAdd option of periodic chain topology to pdb2gmx03/10/2018 01:01 PM
2428GROMACSFeatureNewNormalAdd way of selecting interactive arguments of pdb2gmx by string rather than an index02/27/2018 06:28 PM
2427GROMACSBugNewNormalgmx select gives syntax error for selection involving evaluating simple arithmetic expression02/27/2018 05:15 PM
2426GROMACSFeatureIn ProgressNormalTrajectory analysis tool for functional mode analysis by partial least squares fitting (PLS-FMA)03/21/2018 12:17 PMGROMACS - 2019
2425GROMACSTaskNewNormaltesting multisim with multiple ranks per simulationMark Abraham03/02/2018 12:42 PMGROMACS - 2019
2423GROMACSTaskNewNormalmodernize constraints codeMark Abraham06/13/2018 12:31 AMGROMACS - 2019
2422GROMACSTaskNewNormalwrite C kernel for tables in Verlet scheme02/26/2018 01:38 PM
2421GROMACSBugResolvedNormalEwaldUnitTests and SimdUnitTests fail on ppc64le with gcc-8.0.1Mark Abraham08/15/2018 11:55 AMGROMACS - future
2420GROMACSBugNewNormalOpenCL implementation not doing device sanity checks07/30/2018 02:40 PMGROMACS - 2019
2417GROMACSBugNewLowPhysical validation tests fail with default installation02/20/2018 03:20 PMGROMACS - 2019
2415GROMACSBugBlocked, need infoNormalincorrect runtime assertion catches CUDA API errors from GPU sanity checkingSzilárd Páll08/15/2018 11:59 AMGROMACS - 2018.4
2412GROMACSTaskNewNormalattempt to do better FFTW planning 03/15/2018 05:01 PM
2408GROMACSTaskNewNormaldevice busy error with CC 2.0 and 6.1 in the same run03/20/2018 12:52 PM
2404GROMACSBugAcceptedNormalEnabling floating point exceptions makes some tests fail08/20/2018 03:22 PMGROMACS - 2019
2402GROMACSTaskNewNormalPME kernels general performance improvements03/26/2018 10:41 AMGROMACS - future
2397GROMACSBugFeedback wantedNormalDifference between single rank and multiple rank when pulling using constraints relative to rest of the systemBerk Hess08/15/2018 05:46 PMGROMACS - 2018.4
2396GROMACSTaskNewNormalRefactor trajectoryanalysis module to allow handling of trajectory frame manipulationPaul Bauer02/27/2018 03:30 PMGROMACS - 2019
2395GROMACSTaskIn ProgressNormalbreak up commrecMark Abraham03/29/2018 01:14 PMGROMACS - 2019
2393GROMACSBugNewNormalincorrect error message with omitted command line flag before its argument01/24/2018 11:24 PM
2391GROMACSTaskAcceptedNormalTPI statusBerk Hess03/05/2018 01:35 PMGROMACS - 2019
2390GROMACSBugNewNormalGROMACS build system should check for valid nvcc flags before use08/20/2018 11:07 AMGROMACS - 2018.3
2389GROMACSBugNewNormalTest don't build with external tinyxml2 version 6Mark Abraham02/06/2018 04:45 PM
2383GROMACSTaskNewNormalAdd JSON interface to write and read filesPaul Bauer01/16/2018 02:01 PMGROMACS - future
2382GROMACSTaskNewNormalSimplify Doxygen guidelines01/13/2018 12:40 AM
2380GROMACSBugNewLowcycle counter issues with separate PME rank + GPUs01/16/2018 10:21 PM
2379GROMACSTaskNewNormalcheck leftover FIXMEs in r201802/10/2018 10:01 AM
2376GROMACSTaskNewNormalmax_mpi_ranks has wrong name02/10/2018 11:03 AM
2375GROMACSTaskNewNormalClarify execution phases for MD simulation08/09/2018 01:15 PM
2373GROMACSBugNewLowgmx -nice can't work01/04/2018 11:17 AM
2371GROMACSTaskNewNormalmtop searching needs reconsideration01/04/2018 11:54 AMGROMACS - future
2368GROMACSTaskIn ProgressNormalupdate implementation of gmx msdKevin Boyd08/06/2018 10:09 PMGROMACS - 2019
2367GROMACSTaskNewNormalconstruct pbc_simd less often12/26/2017 01:53 PMGROMACS - 2019
2362TNG trajectory libraryBugNewNormaltng_*_of_particle_nr_get() functions return wrong result for structures with multiple molecule types12/21/2017 11:51 AM
2360GROMACSBugNewLowerror at counter reset with PME-only rank01/05/2018 12:43 PMGROMACS - future
2359GROMACSTaskFeedback wantedNormalr2018 docs tweaks/corrections necessary08/14/2018 02:51 PMGROMACS - 2018.3
2354GROMACSFeatureNewNormaldevelop configuration file support for control of task layout12/21/2017 01:14 PMGROMACS - 2019
2353GROMACSTaskNewNormalimprove on relative tolerance for constructing tables12/19/2017 08:07 AMGROMACS - 2019
2351GROMACSTaskNewNormalAvoid the SIMD module depending on non-trivial parts of Gromacs12/14/2017 02:47 AMGROMACS - future
2344GROMACSTaskResolvedNormalAgree on standards for different types of output and log files04/06/2018 05:59 PMGROMACS - 2019
2341GROMACSTaskNewLowassess the state of building and using GROMACS on Windows12/19/2017 03:27 AMGROMACS - 2019
2310GROMACSFeatureAcceptedNormalLet mdrun dump coordinates with non-finite energy12/26/2017 06:12 AMGROMACS - 2019
2309GROMACSFeatureNewNormalImplement MiMiC QM/MM workflow in the GROMACS coreViacheslav Bolnykh01/05/2018 07:09 PMGROMACS - 2019
2308GROMACSFeatureNewNormalImplement QM/MM updates in GROMACS preprocessorViacheslav Bolnykh01/05/2018 06:19 PMGROMACS - 2019
2307GROMACSFeatureNewNormalImplememnt the QM/MM functionality in GROMACSViacheslav Bolnykh11/28/2017 05:56 PMGROMACS - 2019
2304GROMACSTaskNewNormalDocument and propose tracking mdrun heuristics 04/25/2018 02:40 PMGROMACS - 2019
2297GROMACSTaskNewNormalTransfer prallelisation information from old webpage to new onePaul Bauer11/16/2017 09:54 AM
2294GROMACSTaskNewNormalRequire identical hardware on nodes on parallel runs11/19/2017 08:54 PM
2293GROMACSBugNewLowlibraries target naming in cmake12/12/2017 02:47 PMGROMACS - 2019
2289GROMACSFeatureNewNormalgmx spatial add ability to perform over multiple reference structures11/08/2017 12:31 AM
2288GROMACSFeatureAcceptedLowgmx msd doesn't optimally handle missing input trajectory frames11/10/2017 11:03 AM
2284GROMACSTaskNewLowHwloc test unstable on Jetson TK112/11/2017 12:37 PM
2283GROMACSFeatureNewNormalForce distribution analysisBernd Doser10/27/2017 11:44 AM
2282GROMACSFeatureNewNormalDensity map toolsetChristian Blau11/08/2017 03:47 PMGROMACS - future
2281GROMACSTaskIn ProgressNormalRepresent data on regularly spaced N-dimensional grids.Christian Blau11/14/2017 03:56 PMGROMACS - 2019
2269GROMACSFeatureNewLowsupport some latest-1 versions in Jenkins testing03/06/2018 11:27 PM
2255GROMACSBugNewNormalnstlist override stopped affecting the input parameter listing12/17/2017 08:05 AM
2254GROMACSFeatureNewNormalGPU extensions for Google Tests09/19/2017 05:01 PM
2252GROMACSBugNewLowMemory allocation failures with large page sizes during PME tuning12/14/2017 04:27 AM
2251TNG trajectory libraryBugNewNormalgit release tag for 1.8.0 missing on githubMagnus Lundborg09/15/2017 11:15 PM
2250TNG trajectory libraryBugNewNormaltng_io-configVersion.cmake: has no versionMagnus Lundborg10/23/2017 01:22 PM
2248GROMACSFeatureNewNormalLabel all SIMD functions as pure/nodiscard11/12/2017 07:31 PM
2241GROMACSBugNewLowrefdata can segfault when reading09/07/2017 11:57 AM
2240GROMACSTaskAcceptedLowGPU emulation mode support for PME missing09/16/2017 10:02 PM
2239GROMACSFeatureNewNormalsplit libgromacs into base and full03/06/2018 11:41 PM
2238GROMACSTaskIn ProgressNormalGPU emulation mode support for rolling pruning missingBerk Hess12/21/2017 03:21 PM
2233GROMACSBugAcceptedNormalreplica exchange and -append bugged?03/05/2018 01:38 PM
2232GROMACSBugNewNormalpdb2gmx can't form special bonds with terminal patched atoms12/03/2017 01:35 PM
2231GROMACSBugNewNormalconvert-tpr aborts when saving subset of the system01/12/2018 03:52 PM
2229GROMACSFeatureNewHighFull Object Oriented Modularization of GROMACS MDRUN CodebaseMark Abraham08/11/2017 04:49 PMGROMACS - future
2226GROMACSFeatureNewNormalHarmonise commands for exit in make_ndx and distance08/04/2017 12:24 PM
2224GROMACSFeatureNewNormalProposed feature: conditional stopVedran Miletic05/24/2018 02:35 PMGROMACS - 2019
2221GROMACSTaskNewNormalAvoid preprocessor for SIMD functions02/21/2018 01:43 PM
2220GROMACSFeatureNewNormalreport relevant env var behaviour to console07/31/2017 09:40 PM
2218GROMACSFeatureFeedback wantedNormalA tiny feature: damping for umbrella pull08/16/2017 07:20 PM
2217GROMACSBugNewLowGPU emulation and separate PME ranks doesn't work properly12/12/2017 11:50 AM
2216GROMACSTaskNewNormalGROMACS SIMD acceleration: generation 3Erik Lindahl07/17/2017 06:57 PMGROMACS - future
2211GROMACSBugNewLowgmx writes normal output to stderr 03/05/2018 02:00 PMGROMACS - future
2208GROMACSBugNewNormalcuFFT linking06/30/2017 01:58 PM
2207GROMACSFeatureNewNormalsolvent excluded volume of large molecule with periodic boundary condition 06/16/2017 10:37 AM
2194GROMACSFeatureAcceptedLowxvg output requested as an output option in place of xpm files05/31/2017 04:26 PM
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