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# Project Tracker Status Priority Subject Assignee Updated Target version
2809GROMACSBugNewHighGROMACS 2019 RC1 build fails with GMX_BUILD_OWN_FFTW=ON12/15/2018 06:14 PMGROMACS - 2019-rc2
2807GROMACSBugNewNormalsingle-rank run reports intra simulation communication12/12/2018 07:48 PM
2806GROMACSFeatureNewNormalSIMD algorithms for ARM SVE // nobnonded cluster and otheres12/12/2018 05:52 PMGROMACS - 2020
2804GROMACSBugNewNormalCannot append trajectory after no append flag is used 12/12/2018 02:12 PM
2802GROMACSBugNewNormalForce counter contains up to few % time unaccounted for12/12/2018 07:14 PM
2798GROMACSBugNewNormalDefault mpi rank number fails when there are 16 cores and 3 gpusBerk Hess12/11/2018 10:11 PMGROMACS - 2020
2796GROMACSTaskNewLowclarify what mdrun -cpt means12/11/2018 08:39 AM
2795GROMACSTaskNewNormalIncorporate regressiontests into core gromacs12/09/2018 10:02 AMGROMACS - 2020
2793GROMACSTaskNewNormalupdate performance checklistSzilárd Páll12/10/2018 11:51 AMGROMACS - 2019
2792GROMACSTaskNewNormalImprovement of PME gather and spread CUDA kernels12/05/2018 12:36 PM
2791GROMACSFeatureIn ProgressNormalImplement a module for lambda-dynamics simulations (lambda_site module)Thomas Ullmann12/05/2018 03:21 PMGROMACS - future
2789GROMACSBugNewNormalmdrun gives error about input when GPU hardware does not support PME12/04/2018 02:39 PM
2788GROMACSBugNewNormalPME will not run on AMD GPU with NVidia GPU present12/13/2018 04:35 PM
2787GROMACSTaskNewNormalallow passing flags to allocateDeviceBuffer12/03/2018 01:54 PM
2785GROMACSBugNewNormalInconsistent and erroneous behaviour of trjconv when writing a partial TNG11/30/2018 02:36 PM
2774GROMACSFeatureNewNormalRefactor shell code into its own integratorDavid van der Spoel11/21/2018 05:19 PMGROMACS - 2020
2773GROMACSTaskNewNormalimprove GPU error handling and make such handling uniform across modules11/21/2018 10:28 AMGROMACS - 2020
2772GROMACSTaskNewNormalcheck performance on POWER911/21/2018 07:03 AMGROMACS - 2019
2771GROMACSTaskNewNormalSize independent Hessian for normal mode analysis12/08/2018 08:06 PMGROMACS - 2020
2770GROMACSTaskNewNormalchange branch maintenance policy11/29/2018 02:51 PMGROMACS - 2020
2767GROMACSBugNewNormalgrompp warns about md + FEP even for fully coupled states11/19/2018 11:41 AMGROMACS - 2020
2766GROMACSTaskNewNormalImprove hardware option selectionKevin Boyd11/21/2018 12:29 PMGROMACS - 2020
2765GROMACSBugFix uploadedNormalgmxapi MPI tests don't handle many-core systems12/10/2018 04:03 PMGROMACS - 2019
2764GROMACSTaskNewNormalgmxapi version updates for post release-2019Eric Irrgang11/21/2018 12:53 PM
2763GROMACSBugNewNormalGMXAPI layout / grouping in development docs "modules" page12/14/2018 12:49 PMGROMACS - future
2762GROMACSBugNewNormalGPU isue with CUDA 1011/22/2018 05:11 PM
2761GROMACSFeatureNewLowlincs-order 4 is too conservative for some force fields11/16/2018 09:55 AM
2758GROMACSTaskNewLowModernize genconf11/15/2018 07:38 AMGROMACS - future
2756GROMACSTaskNewNormalgmxapi integration testing12/10/2018 04:03 PMGROMACS - 2019
2755GROMACSFeatureNewLowmd5 sums and sha256, sha512 hashesBenson Muite11/13/2018 09:51 PM
2754GROMACSBugNewNormalSimulated Tempering seems to be brokenMichael Shirts11/23/2018 01:18 AM
2752GROMACSBugNewNormalMemory usage when reading 2019-beta2 .tpr-files with trjconv from version 2018.311/28/2018 02:23 PMGROMACS - 2018.5
2747GROMACSBugNewNormalnb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4 regressiontest failing on Power811/08/2018 03:53 PM
2746GROMACSBugNewNormalregressiontests/freeenergy coulandvdwsequential_vdw failing on Power811/09/2018 12:04 AM
2740GROMACSBugNewNormalmdrun reports incorrect error with -bonded gpu without gpuMark Abraham11/07/2018 01:59 PM
2739GROMACSFeatureNewNormalParallel continuous tempering and enhanced sampling feature11/13/2018 11:36 PM
2737GROMACSBugFeedback wantedNormalAMD OpenCl failes release build in complex tests12/12/2018 12:19 PMGROMACS - 2019
2735GROMACSTaskNewNormalAllow gmx_genrestr to write correct position restraints for molecules after the first moleculeJoe Jordan11/09/2018 12:19 PMGROMACS - 2020
2734GROMACSBugFeedback wantedNormalregressiontests/kernel core dumps on ppc64lePaul Bauer11/09/2018 08:03 PMGROMACS - 2019
2733GROMACSBugBlocked, need infoNormalMdrunUtilityMpiUnitTests timesout on i686 and armv7hl with OpenMPI 2.1.5Paul Bauer11/08/2018 04:27 PM
2731GROMACSTaskNewNormalAdd test support for modifiable inputs to command line toolsKevin Boyd11/04/2018 05:58 PMGROMACS - 2020
2730GROMACSTaskNewNormalAdd tests for gmx_genionJoe Jordan11/02/2018 06:42 PMGROMACS - 2020
2729GROMACSTaskResolvedNormalgmxapi tests should not depend on command line toolsEric Irrgang11/19/2018 01:31 PM
2728GROMACSBugNewNormalFix NB kernel picking11/02/2018 03:51 PMGROMACS - 2020
2727GROMACSTaskNewLowMove non-analysis functions out of gmxana11/02/2018 05:56 PMGROMACS - 2020
2723GROMACSTaskNewNormalUpdate mdrun-performance.rst to clearly express the nature of task10/31/2018 05:49 PMGROMACS - 2019
2722GROMACSBugNewNormalgmxapi may over-manage RPATHMark Abraham12/10/2018 04:03 PMGROMACS - 2019
2719GROMACSBugNewNormalPME broken with Intel OpenCL on OSX11/07/2018 04:31 PM
2715GROMACSFeatureNewNormalAvoid requesting the user to recompile gromacs for Intel OpenCL support10/31/2018 12:16 PMGROMACS - 2020
2713GROMACSFeatureNewNormalConstant offset for external electric fields10/28/2018 12:57 AM
2710GROMACSFeatureNewNormalSeparate dvdl for each molecule (of couple-moltype) when running FEP10/26/2018 10:24 AMGROMACS - 2020
2707GROMACSBugNewNormalInstalled OpenCL files include clh file from gpu_utils directory10/30/2018 04:02 AM
2706GROMACSTaskAcceptedNormalRework classic QM/MM interface11/05/2018 10:06 AMGROMACS - 2020
2702GROMACSBugAcceptedNormalPME gather reduction race in OpenCL (and CUDA)12/12/2018 12:29 PM
2699GROMACSTaskNewNormalTest POWER912/10/2018 08:02 AMGROMACS - 2019
2698GROMACSTaskNewNormalgmxapi documentation integration10/15/2018 04:16 PM
2697GROMACSTaskNewNormalimprove FFT library flavor/version reporting12/10/2018 01:49 PMGROMACS - 2020
2696GROMACSTaskIn ProgressNormalensure PME queue is flushedSzilárd Páll12/04/2018 08:37 PMGROMACS - 2019
2695GROMACSTaskNewLowbonded GPU module timing 12/05/2018 07:03 PMGROMACS - 2019
2694GROMACSTaskIn ProgressNormalbonded CUDA kernels11/01/2018 10:17 AM
2693GROMACSBugNewNormalSeveral memory leaks in mdrun12/16/2018 12:46 AMGROMACS - future
2689GROMACSBugAcceptedNormalgpu timer state not cleaned up10/11/2018 08:04 AMGROMACS - 2019
2686GROMACSTaskNewNormaladd tests for gpu bonded interactions11/29/2018 10:44 AMGROMACS - 2020
2682GROMACSTaskNewNormalAdd MSAN configuration10/09/2018 06:28 PM
2675GROMACSTaskIn ProgressNormalbonded CUDA offload task12/12/2018 05:13 PMGROMACS - 2019
2674GROMACSTaskAcceptedNormalImprove domain decomposition for bilayer systems12/07/2018 04:03 PMGROMACS - future
2673GROMACSTaskNewNormalassess / eliminate c_oclPruneKernelJ4Concurrency constant duplicationSzilárd Páll10/08/2018 06:23 PMGROMACS - 2019
2672GROMACSTaskNewNormalcheck & document execution width requirements in OpenCL10/05/2018 03:20 PMGROMACS - 2019
2671GROMACSTaskNewNormalreplace constants like M_PI10/05/2018 08:58 AMGROMACS - 2020
2670GROMACSTaskNewLowremove old/backward compatibility OpenCL support from releng10/04/2018 06:06 PM
2667GROMACSFeatureNewNormalSuggested steps for calculating entropy in solution and bindingDavid van der Spoel10/30/2018 02:06 PMGROMACS - 2020
2660GROMACSTaskNewLowrework OpenCL nbnxn kernel constantsSzilárd Páll10/30/2018 12:10 PMGROMACS - 2020
2658GROMACSTaskNewNormalSecondary structure assignment via DSSP as native gromacs code Christian Blau10/09/2018 04:51 PMGROMACS - future
2657GROMACSBugNewNormalBiphasic tutorial09/28/2018 10:02 AM
2656GROMACSTaskNewNormalRevise docs/user-guide/mdrun-performance.rst for the 2019 release 11/29/2018 10:48 AMGROMACS - 2019
2654GROMACSTaskResolvedNormalmake more symbols always defined09/28/2018 09:00 AMGROMACS - 2020
2650GROMACSTaskNewNormalrevise OpenCL stack recommendations11/29/2018 10:48 AMGROMACS - 2019
2649GROMACSBugNewNormalVirial calculation necessary for correct energy calculation on GPU12/03/2018 01:55 PMGROMACS - 2019
2645GROMACSBugNewNormalSecurity09/28/2018 01:16 PM
2644GROMACSTaskNewNormalReplace compute_globalsMark Abraham09/24/2018 05:51 PMGROMACS - future
2643GROMACSFeatureNewLowmdp options and/or docs for anisotropic aspects of implementations09/12/2018 02:23 PM
2641GROMACSFeatureFeedback wantedNormalPossible l-bfgs improvementsDavid van der Spoel09/30/2018 08:47 PM
2637GROMACSBugNewHighgmx solvate tears apart molecules09/11/2018 07:43 PM
2635GROMACSBugFeedback wantedNormalFailing to detect GPUs should not write to terminalsMark Abraham10/30/2018 04:45 PMGROMACS - 2019
2632GROMACSTaskNewLowmake sure cmake defines proper hwloc versionc with cross-compilation enabled12/03/2018 01:35 PMGROMACS - future
2630GROMACSTaskNewNormalgmxapi integration testing09/01/2018 04:33 PM
2629GROMACSTaskNewNormalstablise testing matrices for GROMACS 201912/10/2018 03:17 AMGROMACS - 2019-rc2
2628GROMACSBugFix uploadedNormalGMXRC removes trailing colon from existing MANPATH08/28/2018 03:13 PM
2624GROMACSBugNewNormalGPU build system not robust enough09/05/2018 02:00 AM
2623GROMACSTaskResolvedNormalAllow extensible MDModules and forceProviders.10/15/2018 03:44 PM
2622GROMACSFeatureNewLowReduce severity of Berendsen warning08/23/2018 11:16 PMGROMACS - future
2621GROMACSTaskNewNormalFine-Grained API to Describe Force Calculation and Neighbourhood SearchPrashanth Kanduri08/22/2018 11:36 AMGROMACS - future
2620GROMACSFeatureNewNormalMD signaling API08/28/2018 07:10 PM
2616GROMACSTaskNewNormalModel for MD state09/14/2018 05:12 PM
2615GROMACSFeatureNewNormalSwitch to Python310/08/2018 06:48 PMGROMACS - 2020
2611GROMACSBugNewNormalissues with gpu_utils-test with GMX_BUILD_UNITTESTS=OFF and on OSX08/14/2018 07:03 PM
2610GROMACSFeatureResolvedNormalAPI status object10/15/2018 03:12 PM
2609GROMACSBugNewLowEvaluating PMF for angle rotations using gmx WHAM08/14/2018 03:15 AMGROMACS - future
2608GROMACSTaskNewNormalRemove code duplication between OpenCL and CUDA09/24/2018 12:47 PM
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
2605GROMACSFeatureResolvedNormalLibrary access to MD runner10/15/2018 03:29 PM
2603GROMACSTaskNewNormalAdd ability to properly check coordinate files during testingPaul Bauer10/15/2018 01:16 PMGROMACS - future
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
2598GROMACSBugNewNormalTools using read_next_x cannot read TNG files with sanitzers10/15/2018 01:16 PMGROMACS - future
2596GROMACSFeatureNewNormalConstant potential methodBenson Muite08/09/2018 03:50 PM
2595GROMACSTaskNewNormalReusable Utilities for SchedulesPrashanth Kanduri11/12/2018 11:16 AMGROMACS - future
2594GROMACSFeatureNewNormalMulti-level GMX APIPrashanth Kanduri08/02/2018 05:41 PMGROMACS - future
2590GROMACSTaskNewNormalEssential Dynamics as module providing forcesChristian Blau08/22/2018 05:03 PMGROMACS - future
2589GROMACSBugNewNormalregressiontests/kernel coredumps on ppc64 (f29)07/25/2018 05:20 PM
2587GROMACSFeatureIn ProgressNormalProvide Context (e.g. to runner code) to manage client and runtime environment10/15/2018 03:34 PM
2586GROMACSFeatureIn ProgressNormalVersioned libgmxapi target for build, install, headers, docs10/15/2018 03:39 PM
2585GROMACSFeatureNewNormalInfrastructure supporting external API12/07/2018 12:05 PM
2582GROMACSBugBlocked, need infoNormalCompilation issues with CUDA V9.1.85 and both gcc5 and gcc6 Szilárd Páll07/23/2018 07:46 PM
2581GROMACSFeatureAcceptedNormalUser interface for hybrid Monte Carlo10/15/2018 05:21 PMGROMACS - 2020
2580GROMACSBugFeedback wantedHighsc-coul option yields different free energy estimate on a ligand with zero partial charge09/11/2018 08:10 AM
2579GROMACSFeatureNewNormalAdd dimensionality option to gmx trjconv -center07/19/2018 04:53 PMGROMACS - future
2576GROMACSBugNewNormalgmx potential -correct outputs the wrong potential07/25/2018 02:58 PM
2574GROMACSFeatureNewNormaliForceSchedule AbstractionPrashanth Kanduri11/01/2018 03:55 PMGROMACS - 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
2569GROMACSTaskFeedback wantedNormalannounce deprecations in GROMACS 2019Mark Abraham11/29/2018 10:54 AMGROMACS - 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
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
2556GROMACSFeatureNewNormalmake default selections suitable for DNA and RNAMark Abraham06/20/2018 01:48 PM
2555GROMACSBugNewLowbuilding GROMACS 2018.207/03/2018 11:41 PM
2553GROMACSBugAcceptedNormalIncorrect COM velocity correction with frozen atomsBerk Hess12/03/2018 01:15 PMGROMACS - 2020
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 Spoel10/03/2018 11:32 PMGROMACS - future
2544GROMACSBugNewNormalgmx rmsf does not fix periodicity in reference structureDavid van der Spoel08/21/2018 10:36 AMGROMACS - future
2538GROMACSTaskNewNormalorganize more of the PME GPU code along task-specific linesMark Abraham05/31/2018 05:41 PM
2537GROMACSTaskNewNormalSimplify PME solve reductionAleksei Iupinov10/30/2018 12:08 PMGROMACS - 2020
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 API09/23/2018 11:47 PMGROMACS - future
2528GROMACSTaskNewNormalPME GPU tuning05/29/2018 03:08 PMGROMACS - 2019
2527GROMACSTaskNewNormalRename GpuEventSynchronizer to something more fitting (after mergin PME OpenCL)10/30/2018 04:06 AMGROMACS - future
2526GROMACSBugNewNormalBug of gmx hbond05/30/2018 03:12 PM
2524GROMACSTaskNewNormalstruct alignment/packing for OpenCL host & device code10/30/2018 12:06 PMGROMACS - 2020
2522GROMACSTaskNewNormalOpenCL context duplication10/30/2018 12:07 PMGROMACS - 2020
2521GROMACSTaskNewNormalImplement alternating PME/NB wait for OpenCL10/15/2018 12:39 PM
2520GROMACSTaskNewNormalTreat OpenCL kernel width more diligently05/24/2018 06:21 PM
2519GROMACSTaskNewHighImprove/remove PME OpenCL kernel barriers10/09/2018 03:19 AM
2518GROMACSTaskNewNormalredesign task-assignment code for OpenCL10/30/2018 04:05 AMGROMACS - 2020
2516GROMACSTaskNewNormalSupport PME OpenCL execution width < 16Aleksei Iupinov10/31/2018 09:12 PM
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
2505GROMACSTaskNewNormalconsider bumping cmake reqirement for GROMACS 2020Roland Schulz11/01/2018 10:07 AMGROMACS - 2020
2501GROMACSTaskNewNormalDocumentation section on log file contentsKevin Boyd10/03/2018 09:48 PMGROMACS - future
2498GROMACSTaskNewNormalOpenCL memory pinning/mapping10/30/2018 12:07 PMGROMACS - 2020
2496GROMACSTaskNewLowfind system xdr properly05/02/2018 02:19 PM
2495GROMACSTaskNewNormalreplace -noconfout with mdp optionMark Abraham10/12/2018 10:34 PMGROMACS - 2020
2492GROMACSTaskNewNormalimplement force calculation via ForceProviders containing collections of IForceProviderMark Abraham09/19/2018 03:13 PMGROMACS - future
2491GROMACSFeatureNewLowAllow constant bias AWH simulationsViveca Lindahl06/05/2018 10:38 PMGROMACS - future
2490GROMACSTaskNewNormalevaluate two-step communicatorsSzilárd Páll10/03/2018 09:47 PMGROMACS - future
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 Bauer10/08/2018 10:50 AMGROMACS - future
2482GROMACSBugFeedback wantedNormalAtoms/molecules in freezegrps move and system crashes05/18/2018 07:13 PM
2481GROMACSTaskNewLowUpdate gmx report-methods to write more method information09/20/2018 07:43 AMGROMACS - 2020
2480GROMACSBugNewNormalpdb2gmx does not protonate correctly for united-atom GromosMark Abraham08/21/2018 10:38 AMGROMACS - 2019
2478GROMACSTaskNewLowavoid use of getenv in static initialization04/13/2018 11:57 AM
2475GROMACSTaskNewNormalmake OpenCL 1st class-citizen in the build system10/30/2018 12:01 PMGROMACS - 2020
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 decomposition11/05/2018 06:30 PMGROMACS - 2019
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
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
2454GROMACSTaskIn ProgressNormalOpenCL infrastructure improvements12/10/2018 02:49 PMGROMACS - 2019
2453GROMACSTaskNewHighPME OpenCL porting effortAleksei Iupinov10/15/2018 05:14 PMGROMACS - 2019
2452GROMACSTaskIn ProgressNormalReduce data dependencies in mdrun algorithmsBerk Hess03/14/2018 08:47 PM
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
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)10/03/2018 11:31 PMGROMACS - future
2425GROMACSTaskNewNormaltesting multisim with multiple ranks per simulationMark Abraham11/29/2018 11:20 AMGROMACS - 2020
2423GROMACSTaskNewNormalmodernize constraints codeMark Abraham09/19/2018 03:01 PMGROMACS - future
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
2412GROMACSTaskNewNormalattempt to do better FFTW planning 03/15/2018 05:01 PM
2402GROMACSTaskNewNormalPME kernels general performance improvements03/26/2018 10:41 AMGROMACS - future
2396GROMACSTaskNewNormalRefactor trajectoryanalysis module to allow handling of trajectory frame manipulationPaul Bauer10/08/2018 07:29 PMGROMACS - 2020
2395GROMACSTaskIn ProgressNormalbreak up commrecMark Abraham09/19/2018 03:13 PMGROMACS - 2020
2393GROMACSBugNewNormalincorrect error message with omitted command line flag before its argument01/24/2018 11:24 PM
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