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# Project Tracker Status Priority Subject Assignee Updated Target version
631 GROMACS Task Rejected Low Check that CMake default compiler options are mutually consistent 05/01/2013 12:50 AM
632 GROMACS Feature Closed Normal Implementation of periodic improper dihedrals is incomplete Erik Lindahl 01/11/2013 12:36 PM GROMACS - 4.6
633 Support Platforms Task Closed Normal Expand range of versions available when reporting bugs Rossen Apostolov 05/31/2017 05:50 PM
636 GROMACS Task Closed Low check for updates to FindMPI.cmake Mark Abraham 01/17/2012 01:51 PM
647 Support Platforms Bug Closed Normal redmine repository hasn't picked up commits to release-4-5-patches for a few days 01/12/2011 03:45 PM
648 Support Platforms Task Closed Normal Use of commit hook scripts 05/31/2017 05:40 PM
664 GROMACS Task Closed Low Update code formatting to follow coding conventions 12/29/2012 12:54 PM
667 GROMACS Feature Rejected Low check_bonds_timestep() only reports the first suspicious bond Mark Abraham 07/11/2016 08:29 PM
674 GROMACS Bug Closed Normal Use of specbond.dat is not documented Justin Lemkul 05/23/2014 02:02 PM
675 GROMACS Feature Closed Low pdb2gmx should issue a warning when applying non-zwitterionic termini to single-residue molecules 12/29/2012 08:55 PM
677 GROMACS Task New Normal Make sure manual uses consistent style throughout 06/19/2014 11:49 AM
678 GROMACS Bug Closed Normal regularize status of g_kinetics 06/08/2011 04:45 PM
679 GROMACS Task Closed Normal g_select documentation should be included in the manual Teemu Murtola 06/05/2015 07:30 PM GROMACS - 5.1
683 GROMACS Feature Closed Low do_dssp could be improved Mark Abraham 06/17/2014 03:11 PM
684 GROMACS Bug Closed Low Nonsense sentence 05/23/2014 02:02 PM
690 GROMACS Bug Closed Low options program needs to be built by default Mark Abraham 12/29/2012 02:06 PM GROMACS - 4.5.6
695 GROMACS Bug Closed Low replica exchange can occur when energies are not current Mark Abraham 12/29/2012 03:59 PM GROMACS - 4.5.6
702 GROMACS Feature Rejected Normal Introducing gmx_cmdline_t Mark Abraham 04/19/2013 08:57 PM GROMACS - 5.0
723 GROMACS Bug Closed Normal Need 4.5.4 manual release Rossen Apostolov 05/23/2014 02:02 PM
729 GROMACS Bug Closed Normal With GMX_THREADS on, cmake blindly sets GMX_MPI=1 Sander Pronk 06/08/2011 01:52 PM GROMACS - git master
731 GROMACS Feature New Normal pdb2gmx should warn about missing residues when bonds are too long 06/22/2014 10:55 AM
735 GROMACS Task Closed Normal conversion of manual build system to CMake Mark Abraham 05/23/2014 02:02 PM
736 GROMACS Feature Closed Normal BlueGene kernel upgrade Mark Abraham 04/19/2013 03:53 PM
738 GROMACS Task Closed Normal Remove code duplication from various places Mark Abraham 09/21/2011 11:08 AM
752 GROMACS Bug Closed Normal With PD, non-master processes allocate state twice Berk Hess 05/17/2011 12:06 PM GROMACS - 4.5.5
753 GROMACS Feature Closed Normal Use of GB in parallel and/or with all-vs-all kernels needs a mention in the manual Mark Abraham 07/11/2016 08:45 PM
755 GROMACS Bug Closed Normal pdb2gmx -debug 1 writes *_new.hdb and new*.tdb files 01/09/2014 01:58 PM
764 GROMACS Bug Closed Normal md = steep calculates and reports pressure and virial Berk Hess 06/22/2011 11:12 AM GROMACS - 4.5.5
765 GROMACS Task New Normal Improving serialization of data structures prior to communication Mark Abraham 05/13/2014 10:04 AM GROMACS - future
775 GROMACS Bug Closed Low Possible comment wrong in do_update_bd() Berk Hess 04/26/2012 09:37 PM GROMACS - 4.5.6
776 GROMACS Bug Closed Low Typo in description of BD parameters Berk Hess 05/23/2014 02:02 PM
781 GROMACS Bug Closed Low Reading .g96 trajectories is broken Sander Pronk 09/06/2012 07:06 PM GROMACS - 4.5.6
807 GROMACS Bug Closed Normal Use of [cmap] Erik Lindahl 05/23/2014 02:02 PM
812 GROMACS Bug Closed Normal g_sham needs more documentation David van der Spoel 07/15/2014 06:43 AM GROMACS - 5.0
813 GROMACS Bug Closed Normal pairs_nb needs documentation 05/23/2014 02:02 PM GROMACS - 5.0
816 GROMACS Bug Closed Low clarification of documentation of suface-tension coupling Rossen Apostolov 06/20/2014 08:29 AM GROMACS - 5.0
820 GROMACS Bug Closed Normal dihedral restraints need more documentation Erik Lindahl 06/20/2014 10:39 AM GROMACS - 5.0
833 GROMACS Bug Closed Normal NUMA should probably not be used under Cygwin Mark Abraham 04/16/2012 01:48 PM GROMACS - 4.5.6
834 GROMACS Bug Closed Normal g_bond and PBC Mark Abraham 06/13/2014 02:34 PM
843 GROMACS Feature New Low g_helixorient could benefit from more documentation Erik Lindahl 05/23/2014 02:02 PM
853 GROMACS Task Closed Normal Fix FAHCORE because it can no longer use -DMPI in CMakeLists. Michael Shirts 12/28/2012 08:49 PM GROMACS - 4.6
862 GROMACS Bug Closed Normal g_hbond -r2 needs more documentation David van der Spoel 05/23/2014 02:02 PM
884 GROMACS Bug Closed High Don't allow mixed-precision appending Berk Hess 04/16/2012 03:35 PM GROMACS - 4.6
886 GROMACS Bug Closed Normal pdb2gmx -cmap needs some mention in manual section 5.6 Rossen Apostolov 06/18/2014 02:11 PM GROMACS - 4.6.x
954 GROMACS Bug Closed Low calc_fluctuation_props output David van der Spoel 10/21/2012 12:40 PM GROMACS - 4.5.6
974 GROMACS Task Closed Normal Document use of environment variables 05/23/2014 02:02 PM GROMACS - 4.6
1000 GROMACS Bug Closed Normal Possible bug with v-rescale thermostat and md-vv Michael Shirts 12/16/2013 05:38 PM GROMACS - 4.5.7
1001 GROMACS Bug Closed Normal REMD statistics not collected properly any more Michael Shirts 12/28/2012 08:34 PM GROMACS - 4.6
1018 GROMACS Bug Closed Normal cmake and gpu acceleration Szilárd Páll 01/01/2013 12:35 PM GROMACS - 4.6
1019 GROMACS Bug Closed Normal Timing stats broken Berk Hess 01/14/2013 08:56 AM GROMACS - 4.6
1024 GROMACS Bug Closed Normal REMD and Verlet lists Berk Hess 01/14/2013 08:54 AM GROMACS - 4.6
1039 GROMACS Task Rejected Low investigate whether clang 3.0 really is buggy for the 4.6 group kernels Mark Abraham 11/29/2013 12:26 AM GROMACS - 4.6.x
1047 GROMACS Feature Closed Normal CMake configuration summary Mark Abraham 07/11/2016 08:42 PM
1049 GROMACS Bug Closed High pick_nbnxn_kernel needs reworking Berk Hess 01/18/2013 11:00 AM GROMACS - 4.6
1053 GROMACS Feature In Progress Normal L-BFGS doesn't use constraints or call do_em_step Berk Hess 01/18/2013 11:00 AM GROMACS - future
1056 GROMACS Task Accepted Normal status of fft5d_threads and fftw3_threads functionality Mark Abraham 07/11/2016 08:21 PM
1057 GROMACS Bug Closed Normal Remove acml vestiges Mark Abraham 02/15/2014 07:10 PM GROMACS - 5.0
1058 GROMACS Task Closed High gcc 4.4.something up to at least 4.6.0 can't compile AVX256 kernels Erik Lindahl 12/29/2012 12:24 AM GROMACS - 4.6
1063 GROMACS Task Closed Normal update documentation to correct "single" precision Mark Abraham 06/29/2014 05:56 PM GROMACS - 5.0
1066 GROMACS Bug Rejected Normal FMA and icc Mark Abraham 01/10/2013 02:52 AM GROMACS - 4.6
1075 GROMACS Bug Closed Normal mdrun doesn't build on non-x86 Mark Abraham 12/28/2012 08:48 PM GROMACS - 4.6
1094 GROMACS Bug Closed Normal remove g_dih Mark Abraham 01/07/2013 09:55 PM GROMACS - 4.6
1105 Benchmark suite Feature New Normal produce a benchmark suite 09/13/2016 10:31 PM
1106 Benchmark suite Feature New Normal publish benchmark numbers 06/19/2014 12:08 PM
1107 GROMACS Task Closed Normal update online manual when releasing Mark Abraham 07/11/2016 09:10 PM GROMACS - 5.1.3
1108 GROMACS Task Closed Normal for releases, regenerate shell completion files in scripts directory Mark Abraham 01/18/2013 03:26 PM GROMACS - 4.6
1111 GROMACS Feature Closed Normal use of rsqrt() Mark Abraham 11/17/2016 03:46 PM GROMACS - 5.1
1117 GROMACS Bug Closed Low ensemble-averaged distance restraints is probably broken 12/11/2017 12:19 PM GROMACS - future
1119 GROMACS Bug Closed Normal g_tune_pme needs work for GPUs and/or OpenMP Mark Abraham 07/11/2016 07:59 PM
1123 GROMACS Feature Rejected Normal binary incompatibility 01/07/2019 02:05 AM
1124 GROMACS Bug Rejected Normal g_tool -hidden is broken - prints some binary rubbish Mark Abraham 02/08/2013 01:08 PM GROMACS - 4.5.7
1135 GROMACS Bug Closed Normal various detection and -multi don't work well enough together Mark Abraham 07/05/2016 12:40 AM GROMACS - 2016
1149 GROMACS Bug Closed Normal changes to dihedral restraints need corresponding changes to the manual Rossen Apostolov 06/20/2014 10:39 AM
1159 GROMACS Bug Closed Normal Shell completions are partly broken Teemu Murtola 02/08/2014 06:52 AM GROMACS - 5.0
1164 GROMACS Bug Closed Normal rlistlong seems not to work correctly for grompp warning Berk Hess 12/16/2013 05:39 PM GROMACS - 4.6.3
1177 GROMACS Task Closed Normal Moving manual repo into source repo Mark Abraham 01/01/2014 06:51 AM GROMACS - 5.0
1182 GROMACS Feature New Normal improve trajectory writing to support parallel I/O 05/13/2014 10:42 AM GROMACS - future
1186 GROMACS Bug Closed Normal install guide should mention how to configure blas and lapack Mark Abraham 05/31/2013 10:44 AM GROMACS - 4.6.2
1189 GROMACS Bug Closed Normal g_mindist and PBC Rossen Apostolov 06/20/2014 04:27 PM GROMACS - 4.6.6
1190 GROMACS Bug New Normal Use of FORCE in setting cached variables Mark Abraham 06/17/2014 06:09 AM
1193 GROMACS Feature Rejected Normal planning for new trajectory file reading component Mark Abraham 06/23/2016 04:05 PM
1204 GROMACS Feature Closed Normal multi simulations should report that they are multi simulations Erik Lindahl 04/27/2015 09:37 AM GROMACS - 5.0
1208 GROMACS Bug Closed Low genion should treat a combination of -nn (or -np) with -conc better 07/05/2013 06:35 PM GROMACS - 4.6.3
1209 GROMACS Feature Closed Normal Reduce tools verbosity Teemu Murtola 01/10/2014 11:37 PM GROMACS - 5.0
1223 GROMACS Bug Closed Normal assert in 4.6 Mark Abraham 07/23/2016 03:32 PM
1226 GROMACS Bug Closed Low make install installs .cvsignore files Mark Abraham 02/10/2014 09:40 PM GROMACS - 4.5.8
1228 GROMACS Bug Closed Normal various install guide (etc.) improvements noted on gmx-users Mark Abraham 10/01/2014 06:55 PM
1231 GROMACS Feature Closed Low single-point energies Erik Lindahl 07/15/2014 06:44 AM GROMACS - 5.0
1235 GROMACS Bug New Normal peptide dihedral angle definitions violate IUPAC David van der Spoel 06/19/2015 12:24 AM GROMACS - future
1236 GROMACS Feature Closed Low deprecate genion non-random insertion of ions Mark Abraham 12/16/2013 05:40 PM GROMACS - 4.6.3
1241 GROMACS Bug Closed Normal gmx_system_xdr.[ch] files cite Sun's license, but COPYING does not Mark Abraham 12/16/2013 05:41 PM GROMACS - 5.0
1242 GROMACS Feature Closed Normal Documentation reorganization Mark Abraham 01/07/2019 02:02 AM
1246 GROMACS Task New Normal expanded ensemble .tpr cannot be rerun Michael Shirts 06/19/2015 01:56 PM
1247 GROMACS Feature New Normal fix hardcoded references to atom names in analysis tools Mark Abraham 06/12/2014 01:20 AM GROMACS - future
1248 GROMACS Bug Closed Low nvcc host compiler sanity checks break with cmake >=2.8.10 Szilárd Páll 05/08/2016 12:50 PM GROMACS - 2016
1259 GROMACS Bug Closed Normal gcc-4.6.1 is buggy for AVX_256 Mark Abraham 05/13/2014 09:03 PM GROMACS - 4.6.x
1260 Support Platforms Feature Closed Normal create 4.6.x target 06/10/2014 02:02 PM
1269 GROMACS Feature Closed Normal create CMake variable for x86 Mark Abraham 10/31/2013 12:15 PM GROMACS - 4.6.4
1271 GROMACS Bug Closed Normal GMXRC install is broken in master Teemu Murtola 01/24/2014 07:16 PM GROMACS - 5.0
1287 GROMACS Feature Closed Normal bump cmake requirement for 5.0 Mark Abraham 12/03/2013 04:17 PM GROMACS - 5.0
1289 GROMACS Bug Closed Low EEL_USER is true when eelPMESWITCH is true Mark Abraham 10/16/2013 03:36 PM GROMACS - 4.6.4
1290 GROMACS Task Closed Low OpenMPI 1.4.3 in Ubuntu 12.04 can produce simulation crashes with any version of GROMACS 12/03/2013 04:19 PM
1291 GROMACS Bug Closed Low GPU/CPU force evaluation time ratio seems wrong Szilárd Páll 07/11/2016 08:38 PM GROMACS - 2016
1292 GROMACS Feature Closed Normal mdrun features to deprecate for 5.0 Mark Abraham 08/26/2019 03:47 PM GROMACS - 5.0
1295 GROMACS Feature Closed Low improve method for disabling use of GPU 12/03/2013 04:24 PM GROMACS - 4.6.4
1297 GROMACS Bug Closed Normal infinite relative permittivity is incompletely implemented Mark Abraham 06/22/2015 12:43 PM
1298 GROMACS Feature Closed Low g_traj -f file.xtc -ov writes an empty file (silently?) 06/23/2014 02:16 PM GROMACS - 5.0
1310 GROMACS Task Closed Normal update bundled threading support for GMock Teemu Murtola 08/14/2013 08:03 AM GROMACS - 5.0
1319 GROMACS Bug Closed Normal g_tune_pme assumes an MPI environment is available Mark Abraham 10/16/2013 01:49 PM GROMACS - 4.6.4
1320 GROMACS Task Closed Normal renaming of MPI-related conditional-compilation machinery Mark Abraham 07/11/2016 08:18 PM GROMACS - 5.1
1323 GROMACS Task New Normal determine future of existing tools for David van der Spoel 12/04/2018 11:53 AM
1325 GROMACS Bug Closed Normal "Core t" time is wrong with separate PME nodes Mark Abraham 10/16/2013 03:33 PM GROMACS - 4.6.4
1327 GROMACS Bug Closed Normal CMake bugs with set(var value PARENT_SCOPE) Mark Abraham 10/16/2013 03:28 PM GROMACS - 4.6.4
1347 GROMACS Feature New Normal future of tables Berk Hess 01/09/2020 02:37 PM GROMACS - future
1359 GROMACS Bug Closed Normal race condition(s) in hardware detection(?) Mark Abraham 12/03/2013 04:14 PM GROMACS - 4.6.4
1378 GROMACS Bug Closed Normal Problem with interactions longer than pair-list range with NBNxN kernels Berk Hess 12/03/2013 04:11 PM GROMACS - 4.6.4
1390 GROMACS Task Closed Normal manage C+11 support and CUDA better 06/27/2016 08:28 PM GROMACS - 2016
1397 GROMACS Feature New Normal gmx eneconv -offset 1.998 -dt 2 is broken for large times Mark Abraham 06/12/2014 01:31 AM GROMACS - future
1423 GROMACS Bug Closed Normal Using xtc-grps with a subset leaks memory Mark Abraham 02/06/2014 10:38 PM GROMACS - 5.0
1429 GROMACS Bug Closed Normal shell code issues (broken with DD+grid; broken with Verlet scheme) Berk Hess 06/20/2014 07:35 AM GROMACS - 4.6.6
1431 GROMACS Bug Closed Normal rotation/flex-t regressiontest failing on BG/Q Carsten Kutzner 01/10/2019 03:50 PM GROMACS - 4.6.x
1438 GROMACS Bug Closed Normal gmx mdrun -h broken Teemu Murtola 02/24/2014 10:59 AM GROMACS - 5.0
1455 GROMACS Task Closed Normal fix regressiontests to correctly rerun and report the mdrun usage Mark Abraham 07/11/2016 08:12 PM GROMACS - 5.1
1459 GROMACS Bug Closed Normal clean up naming in pme code Mark Abraham 07/15/2014 06:49 AM GROMACS - 5.0
1472 GROMACS Feature Closed Normal complete removal of libgsl support David van der Spoel 10/14/2015 06:10 PM GROMACS - 5.1.1
1487 GROMACS Bug Closed Normal do_cpt_enerhist sets variables that are not used Berk Hess 07/11/2016 07:48 PM
1500 GROMACS Feature New Normal Post-5.0 feature clean-up plan Mark Abraham 08/26/2019 03:47 PM
1505 GROMACS Task New Normal improve handling of logging Mark Abraham 01/02/2019 06:06 PM
1520 GROMACS Bug Closed Normal tng include/library/linking problems Mark Abraham 06/29/2014 10:03 AM GROMACS - 5.0
1531 GROMACS Bug Closed Low gmx bar fatal errors write garbage values 06/16/2015 11:46 PM
1535 GROMACS Bug Closed Low osx C++ symbol visibility warnings 08/18/2014 02:42 AM
1550 GROMACS Bug Closed Low GMX_MAX_MPI_THREADS has no implementation 06/22/2015 12:43 PM
1554 GROMACS Bug Closed Low build of template.cpp is broken Teemu Murtola 10/01/2014 06:48 PM GROMACS - 5.1
1593 GROMACS Bug Closed Low step-size scaling in lbfgs doesn't work as intended 06/22/2015 12:42 PM
1597 GROMACS Feature Closed High OpenCL port Mark Abraham 07/05/2015 10:39 AM GROMACS - 5.1
1612 GROMACS Feature Closed Normal generating SIMD code 06/23/2016 11:14 AM GROMACS - 2016
1614 GROMACS Bug Rejected Low thread-MPI has broken support for operations on MPI_INT 05/21/2016 04:54 PM
1615 GROMACS Bug Closed Normal possible bug in shell code 07/11/2016 07:44 PM GROMACS - 5.1
1616 GROMACS Bug Closed Normal configuration should check that the compiler will work with nvcc Mark Abraham 01/10/2019 10:18 AM GROMACS - 2018
1617 GROMACS Bug Closed Normal uncrustify indenting strangely 07/11/2016 09:08 PM
1633 GROMACS Bug Closed Low mdrun -nsteps -1 reports silly numbers Szilárd Páll 12/15/2014 09:45 PM GROMACS - 5.0.4
1647 GROMACS Bug Closed High race condition with lincs + openmp + free-energy Mark Abraham 12/09/2014 04:18 PM GROMACS - 5.0.3
1659 GROMACS Bug Closed Low DD error message writes ncells pointer value, not value pointed to 01/12/2015 06:34 PM GROMACS - 5.0.5
1666 GROMACS Feature New Normal new approach for Verlet-scheme kernel generation Erik Lindahl 10/08/2018 07:04 PM GROMACS - future
1673 GROMACS Bug Closed Normal mis-use of simd.h after refactoring Mark Abraham 11/16/2015 06:11 PM GROMACS - 5.1.1
1677 GROMACS Bug Closed Low floating-point exceptions found Erik Lindahl 06/16/2015 10:28 PM GROMACS - 5.1
1681 GROMACS Bug Closed Normal use of incorrect initial value of variable Mark Abraham 04/09/2015 11:07 AM GROMACS - 5.1
1683 GROMACS Bug Closed Normal mdrun-only build does not link correctly Mark Abraham 03/05/2015 10:25 AM GROMACS - 5.1
1695 GROMACS Bug Closed Normal Andersen thermostats wrong in 5.0 Mark Abraham 04/09/2015 10:57 AM GROMACS - 5.0.5
1696 GROMACS Task Closed Normal FFTW auto-build and advice is no longer generally applicable 06/16/2015 10:25 PM GROMACS - 5.1
1697 GROMACS Bug Closed Normal rare replica-exchange problem Michael Shirts 05/06/2015 04:52 PM GROMACS - 5.0.5
1699 GROMACS Task Closed Low document change in andersen thermostat behaviour in the code 07/11/2016 08:03 PM GROMACS - 5.1
1700 GROMACS Bug Closed Normal tarball man pages are too deep in the file hierarchy 04/09/2015 11:19 AM GROMACS - 5.1
1701 GROMACS Bug Closed Low arrayref doesn't always work on BlueGene/Q xlc Mark Abraham 06/16/2015 12:55 PM GROMACS - 5.1
1703 GROMACS Bug Closed Normal be less vocal about affinity where it is not relevant 06/16/2015 12:55 PM GROMACS - 5.1
1706 GROMACS Bug Closed Low NVML message reports wrong version Szilárd Páll 06/16/2015 11:40 PM GROMACS - 5.1
1720 GROMACS Feature Rejected Low Manage GROMACS JIT caching 08/03/2016 12:25 PM GROMACS - future
1724 GROMACS Bug Closed Low membed docs missing 06/16/2015 11:41 PM GROMACS - 5.1
1729 GROMACS Task New Normal Resolve whether and how to resolve "state" variables stored in .tpr 05/13/2015 10:48 AM GROMACS - future
1730 GROMACS Bug New Normal gmx compare does not compare all fields of a .tpr 06/12/2015 09:33 PM GROMACS - future
1740 GROMACS Bug Closed Normal invalid use of gmx_simd_check_and_reset_overflow Mark Abraham 06/04/2015 02:00 PM GROMACS - 5.0.6
1749 GROMACS Bug Closed Normal pairs_nb is unknown directive in grompp 06/16/2015 10:30 PM GROMACS - 5.0.6
1758 GROMACS Task New Normal Verlet scheme reorganization / modularization Mark Abraham 07/20/2015 06:33 PM GROMACS - future
1767 GROMACS Bug Closed Normal Coulomb energy sometimes wrong in complex/nbnxn_vsite Berk Hess 10/14/2015 06:02 PM GROMACS - 4.6.8
1768 GROMACS Task New Normal decide future of command-line options vs env vars 11/03/2016 05:51 PM GROMACS - future
1777 GROMACS Bug Closed Low Teach mdrun about explicit -append 07/11/2016 05:09 PM GROMACS - 2016
1785 GROMACS Task New Low no pV term written to energy file when pressure coupling is anisotropic 07/26/2015 01:47 PM GROMACS - future
1793 GROMACS Task New Normal cleanup of integration loop Mark Abraham 10/31/2018 10:49 PM GROMACS - future
1795 GROMACS Bug Closed Normal limit test binaries to only one MPI rank where necessary/appropriate Teemu Murtola 05/03/2016 07:37 PM GROMACS - 2016
1815 Support Platforms Task In Progress Normal implement and execute plan for new releng machinery 10/15/2016 05:37 PM
1822 GROMACS Bug Closed Low mdrun writes broken energy group values to .edr file Erik Lindahl 01/03/2018 03:47 PM GROMACS - 2018
1823 GROMACS Bug Closed Low checks for mdrun rerun with energy groups and possible GPUs not working correctly Mark Abraham 11/23/2015 05:47 PM GROMACS - 5.1.1
1852 GROMACS Task New Normal Remove group scheme 03/03/2020 09:03 PM GROMACS - future
1855 GROMACS Task New Normal Convert preprocessor use so that symbols are always defined 06/28/2016 02:17 PM
1858 GROMACS Bug Closed Normal compute globals should not have logic about which integrator is in use 01/12/2016 04:23 PM GROMACS - 5.1.2
1867 GROMACS Feature New Normal make coupling implementations reversible 12/02/2015 07:43 AM
1868 GROMACS Task Closed Normal implement mdrun -rerun better, simplifying do_md Mark Abraham 10/03/2018 09:40 PM GROMACS - 2019
1872 GROMACS Bug Closed Normal md-vv with NPT and more than one temperature-coupling group was broken Mark Abraham 01/12/2016 04:24 PM GROMACS - 5.0.8
1882 GROMACS Bug Closed Normal issue with DD missing impossible exclusions Mark Abraham 02/03/2016 01:52 PM GROMACS - 2016
1883 GROMACS Bug Closed Normal many velocity-verlet combinations do not produce exact restarts 05/08/2016 11:55 AM
1893 GROMACS Bug Closed Normal grompp fails to warn about .mdp values with the wrong type Mark Abraham 02/02/2017 10:35 PM GROMACS - 5.1.2
1897 GROMACS Bug Rejected Normal Memory leak in mdrun 03/15/2016 03:09 PM
1900 GROMACS Feature New Normal Implement some new errors in grompp 06/22/2016 05:20 PM
1908 GROMACS Task Closed Normal remove external dependencies that are sometimes problematic Mark Abraham 06/27/2017 11:17 PM GROMACS - 2018
1913 GROMACS Bug Closed Normal tabulated bonded interaction files cannot be read Mark Abraham 06/08/2016 10:26 AM GROMACS - 5.1.3
1925 GROMACS Task In Progress Normal remove concept of unilateral global communication 12/29/2019 10:35 AM GROMACS - 2021
1936 GROMACS Task New Normal treat default-able mdp fields as strings 04/02/2016 10:32 PM GROMACS - future
1937 GROMACS Task New Low stop supporting changing CUDA host compiler Mark Abraham 10/15/2018 05:19 PM GROMACS - future
1947 GROMACS Task New Normal Consider fixing corner case in TinyXML2 Mark Abraham 04/19/2016 01:40 AM
1953 GROMACS Feature New Low use more regular polymorphism for GPU code 05/06/2016 10:06 PM GROMACS - future
1963 GROMACS Task New Low collect examples of systems where users tried to do something that performed badly Mark Abraham 08/09/2016 07:30 AM
1973 GROMACS Task New Normal OpenCL implementation wish list 05/27/2016 03:42 PM
1975 GROMACS Feature Closed Normal grompp should warn if .mdp define does nothing Kevin Boyd 06/02/2019 09:07 PM GROMACS - 2020
1985 GROMACS Bug Fix uploaded Low CUDA build system refactoring awaiting review 12/20/2019 12:07 PM GROMACS - 2021
1989 GROMACS Bug Closed Low simple distance restraints should work with REMD and multiple ranks per simulation Mark Abraham 08/10/2016 12:31 PM GROMACS - 5.1.3
1992 GROMACS Task Closed Low mdrun should not advise users of things that don't matter Berk Hess 06/22/2016 05:43 PM GROMACS - 2016
1993 GROMACS Bug Closed Normal calc_verlet_buffer_size can't handle nstlist==1 Berk Hess 06/27/2016 07:28 PM GROMACS - 2016
1997 GROMACS Bug Closed Low big-endian power7 testbits is broken 07/05/2016 01:46 AM GROMACS - 2016
1998 GROMACS Bug Closed Normal membed is apparently broken 07/11/2016 09:12 PM GROMACS - 2016
2000 GROMACS Bug Closed Low cmake 3.5.1 + ninja not quite happy with dev-guide build system Teemu Murtola 07/08/2016 03:21 PM GROMACS - 2016
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