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# Project Tracker Status Priority Subject Assignee Updated Target version
1106Benchmark suiteFeatureNewNormalpublish benchmark numbers06/19/2014 12:08 PM
1105Benchmark suiteFeatureNewNormalproduce a benchmark suite09/13/2016 10:31 PM
2417GROMACSBugNewLowPhysical validation tests fail with default installation02/20/2018 03:20 PMGROMACS - 2019
2416GROMACSBugFix uploadedLowTPI producing invalid results with nsteps too smallBerk Hess02/20/2018 11:35 AMGROMACS - 2019
2415GROMACSBugIn ProgressNormalincorrect runtime assertion catches CUDA API errors from GPU sanity checkingSzilárd Páll02/19/2018 09:51 AMGROMACS - 2018.1
2412GROMACSTaskNewNormalattempt to do better FFTW planning 02/14/2018 07:33 PM
2408GROMACSTaskNewNormaldevice busy error with CC 2.0 and 6.1 in the same run02/15/2018 10:25 PM
2406GROMACSBugResolvedNormallegacy forcefield files with GB trigger segfault02/12/2018 01:30 PM
2405GROMACSBugResolvedNormalimprove gpu_utils-testMark Abraham02/17/2018 07:48 PMGROMACS - 2018.1
2404GROMACSBugNewNormalEnabling floating point exceptions makes some tests fail02/13/2018 11:38 AM
2402GROMACSTaskNewNormalPME kernels improvementsAleksei Iupinov02/12/2018 12:24 PMGROMACS - future
2401GROMACSBugResolvedNormalPython scripts use hardcoded #!/usr/bin/python instead of #!/usr/bin/env python02/08/2018 11:00 PM
2397GROMACSBugNewNormalDifference between single rank and multiple rank when pulling using constraints relative to rest of the system02/05/2018 01:06 PMGROMACS - 2018.1
2396GROMACSTaskNewNormalRefactor trajectoryanalysis module to allow handling of trajectory frame manipulationPaul Bauer02/12/2018 12:14 PMGROMACS - 2019
2395GROMACSTaskNewNormalbreak up commrecMark Abraham02/01/2018 02:22 PMGROMACS - 2019
2393GROMACSBugNewNormalincorrect error message with omitted command line flag before its argument01/24/2018 11:24 PM
2392GROMACSBugNewNormalmdp field 'define' does not correctly handle inputs that used to workMark Abraham02/19/2018 03:21 PMGROMACS - 2018.1
2391GROMACSTaskAcceptedLowTPI statusBerk Hess02/19/2018 09:24 PMGROMACS - 2019
2390GROMACSBugNewNormalolder GROMACS can't build with CUDA 9.001/23/2018 02:47 PM
2389GROMACSBugNewNormalTest don't build with external tinyxml2 version 6Mark Abraham02/06/2018 04:45 PM
2388GROMACSBugNewNormalinconsistent pinning behavior due to missing SMT info on AMD Zen02/06/2018 10:41 AM
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 simulation01/31/2018 03:37 PM
2374GROMACSBugNewNormalGPU detection claims fallback despite this clashing with command line user request01/05/2018 09:22 PM
2373GROMACSBugNewLowgmx -nice can't work01/04/2018 11:17 AM
2371GROMACSTaskNewNormalmtop searching needs reconsideration01/04/2018 11:54 AMGROMACS - future
2370GROMACSBugResolvedNormalpdb2gmx does not report why chains of residues are teminated01/10/2018 12:39 PM
2368GROMACSTaskNewNormalupdate implementation of gmx msd12/26/2017 02:00 PM
2367GROMACSTaskNewNormalconstruct pbc_simd less often12/26/2017 01:53 PMGROMACS - 2019
2360GROMACSBugNewLowerror at counter reset with PME-only rank01/05/2018 12:43 PMGROMACS - future
2359GROMACSTaskFix uploadedNormalr2018 docs tweaks/corrections necessary01/17/2018 04:13 PMGROMACS - 2018.1
2355GROMACSTaskResolvedNormalupdate bundled googletestMark Abraham02/05/2018 03:49 PMGROMACS - 2019
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
2344GROMACSTaskNewNormalAgree on standards for different types of output and log files02/20/2018 01:48 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 01/08/2018 11:41 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
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