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# Project Tracker Status Priority Subject Assignee Updated Target version
2905 GROMACS Task New Normal Add a Jenkins configuration with std library assert 08/24/2019 05:22 PM
2883 GROMACS Bug New Normal essentialdynamics fail with Intel MPI 03/08/2019 03:10 AM
2857 GROMACS Task New Normal Clarify recommended function specifies (constexpr, noexcept, pure) 02/04/2019 04:48 AM
2855 GROMACS Task New Normal Allow compiling GROMACS without C compiler 01/10/2020 12:06 PM
2846 GROMACS Feature New Low Set rpath in FindLibStdCpp.cmake 02/02/2019 08:09 AM
2842 GROMACS Task Closed Normal Add libstdc++ check 04/02/2019 03:04 PM
2830 GROMACS Bug Closed Normal DLB issue with 2D/3D domain decomposition Berk Hess 01/24/2019 09:57 PM GROMACS - 2019.1
2683 GROMACS Bug Closed Normal GCC 8.1 warnings 11/29/2018 10:38 AM GROMACS - 2019-rc1
2682 GROMACS Task New Normal Add MSAN configuration 10/09/2018 06:28 PM
2680 GROMACS Bug Closed Normal mdrun-non-integrator-test with nt-mpi>2 Mark Abraham 10/22/2018 12:16 PM GROMACS - 2019-beta1
2645 GROMACS Bug New Normal Security 09/28/2018 01:16 PM
2616 GROMACS Task New Normal Model for MD state 09/14/2018 05:12 PM
2608 GROMACS Task New Normal Remove code duplication between OpenCL and CUDA 09/24/2018 12:47 PM
2562 GROMACS Bug Closed Normal Clarify how to do float->int rounding 11/28/2018 03:41 PM GROMACS - 2019
2507 GROMACS Bug Closed Normal MSAN error in TNG Magnus Lundborg 06/04/2018 06:44 PM GROMACS - 2019
2503 GROMACS Bug Closed Normal post-submit has warnings Mark Abraham 12/07/2018 02:43 PM GROMACS - 2019
2502 GROMACS Bug Closed High nonbonded interactions go missing with GPU when an empty domain goes non-empty 08/23/2018 10:46 AM GROMACS - 2018.3
2382 GROMACS Task New Normal Simplify Doxygen guidelines 01/13/2018 12:40 AM
2357 GROMACS Bug Closed Normal GMX_GPU=no doesn't work if initially set to auto Aleksei Iupinov 01/16/2018 05:13 PM GROMACS - 2018
2356 GROMACS Bug Closed Normal ninja + GMX_BUILD_OWN_FFTW doesn't work 12/25/2017 11:09 AM
2350 GROMACS Bug Closed Normal AVX2 with ICC 17 pdb2gmx regressiontests fail 12/14/2017 10:16 AM
2349 GROMACS Bug Closed Normal multiple issues with physical validation suite Pascal Merz 12/29/2017 11:43 AM
2338 GROMACS Bug Closed Normal ShakeTest.ConstrainsThreeBondsWithCommonAtoms tolerance Berk Hess 12/09/2017 12:58 AM GROMACS - 2018-beta2
2337 GROMACS Bug Closed Normal Intel compiler ewald test is failing in double 12/09/2017 12:58 AM
2336 GROMACS Task Closed Normal improve on relative tolerance tests for tabulated interaction Erik Lindahl 12/19/2017 02:33 AM GROMACS - 2019
2335 GROMACS Bug Closed Normal with Intel compiler, SIMD exp test fails in double+release 03/26/2018 10:19 PM GROMACS - 2018
2334 GROMACS Bug Closed Normal AWH WithParameters/BiasStateTest.InitializesFromFile test fails with ICC 12/07/2017 07:53 PM
2249 GROMACS Task Closed Normal Clarify rounding of SIMD round 12/06/2017 09:57 PM GROMACS - 2018-beta3
2248 GROMACS Feature New Normal Label all SIMD functions as pure/nodiscard 02/04/2019 04:49 AM
2246 GROMACS Bug Closed Normal cmake error if cpu detection fails Mark Abraham 12/12/2017 02:49 PM
2243 GROMACS Bug Closed Normal Reference SIMD exp doesn't flush to zero for very large negative inputs Erik Lindahl 11/12/2017 07:00 PM
2242 GROMACS Bug Closed Normal PME LJ tests fail with SIMD with an fp exception Berk Hess 12/11/2017 12:11 PM GROMACS - 2016.5
2239 GROMACS Feature New Normal split libgromacs into base and full 01/07/2019 01:47 AM
2221 GROMACS Task New Normal Avoid preprocessor for SIMD functions 02/21/2018 01:43 PM
2177 GROMACS Bug Closed Normal tip4p_continue fails with -ntomp 8 -nt 8 Berk Hess 06/20/2017 01:50 PM GROMACS - 2018
2107 GROMACS Task Closed High Change to clang-format 12/11/2019 11:17 AM
2096 Support Platforms Bug New Normal Redmine internal error with special characters 05/31/2017 08:48 PM
2089 GROMACS Task New Normal Encourage code review 01/10/2017 12:03 AM
2075 GROMACS Bug Closed Normal ICC17u1 on KNL fails ED regressiontest 06/03/2018 11:47 PM
2074 GROMACS Bug Closed Normal MSAN warning in grompp get_einp 12/11/2017 12:20 PM
2051 GROMACS Bug Closed Normal gmxTestCXX11 can fail because of linker issue 12/07/2017 07:14 PM GROMACS - 2018
2048 GROMACS Task New Normal C++11: CUDA dependency on general headers 09/07/2016 10:30 PM
2025 GROMACS Bug Closed High Possible deadlock with tmpi and pin=auto 10/19/2016 02:07 PM GROMACS - 2016.1
1983 GROMACS Bug Closed Normal Race condition in hwinfo 06/08/2016 10:25 AM
1981 GROMACS Bug Closed High dd121 regressiontest fails with >=4 MPI ranks + OpenMP Berk Hess 06/27/2016 07:28 PM GROMACS - 2016
1946 GROMACS Bug Closed Low hwloc slow 07/11/2016 08:33 PM GROMACS - 2016
1881 GROMACS Bug Closed Normal cmake: try_run stderr should be ignored 06/08/2016 10:26 AM GROMACS - 5.1.3
1829 GROMACS Task New Normal Future of thread level parallelism 11/18/2016 05:29 PM
1827 GROMACS Bug New Low cmake multi-configuration generator support partly broken 12/11/2017 05:20 PM GROMACS - future
1790 GROMACS Feature Closed Low Semi-automatic select correct STL version for C++11 Mark Abraham 06/01/2016 02:58 PM GROMACS - 2016
1789 GROMACS Bug Closed Normal VS2015 Correlations Unit test fails David van der Spoel 08/03/2015 01:07 PM
1750 GROMACS Feature Closed Low cmake tests fail with Werror 06/29/2015 03:21 PM
1726 GROMACS Bug Closed Normal ICC 15.0.2 bug 06/04/2015 08:38 PM GROMACS - 5.1
1693 GROMACS Bug Closed Normal Jenkins Tests seldomly failing 10/02/2018 09:02 PM
1682 GROMACS Bug Closed Normal fp exception and cycle overflow 06/16/2015 11:20 PM
1680 GROMACS Bug Rejected Normal Multiple problems with Jenkins+GPU regressiontests 07/19/2016 07:35 PM
1635 GROMACS Feature New Normal Proper Unicode support 06/18/2015 08:34 PM
1601 Support Platforms Feature New Normal use Git for Jenkins Config 05/24/2015 10:59 AM
1582 GROMACS Bug Closed Normal Division by zero in get_nsubpair_max 06/17/2015 12:03 AM
1576 GROMACS Bug Closed Low lincs_update_atoms_ind operates on coordinates which are NaN Berk Hess 08/25/2014 06:16 AM
1571 GROMACS Bug Closed Normal LJPME hangs with 4 ranks and 1 pme-only Christian Wennberg 08/10/2014 03:50 AM
1567 GROMACS Bug Rejected Low gmxSimdAndnotR test fails on clang from Xcode 5.1.1 07/23/2014 11:37 PM
1566 GROMACS Feature Closed Normal Add test whether file-system seek/tell is broken 06/19/2015 01:20 AM
1563 GROMACS Bug Rejected Normal Wallcycle output is incorrect if GMX_*_NUM_THREADS is set 05/21/2016 04:57 PM
1559 GROMACS Bug Closed Normal Writing TNG files fails on Xeon Phi Magnus Lundborg 08/25/2014 06:14 AM GROMACS - 5.1
1558 GROMACS Bug Closed Normal analysisdata test fail on several compilers Roland Schulz 10/01/2014 04:28 PM GROMACS - 5.0.2
1557 GROMACS Task Closed Normal Uniform usage of include paths 11/27/2014 04:27 PM GROMACS - 5.1
1556 GROMACS Bug Closed Low regressiontests fail if checked out with CRLF file ending 08/25/2014 06:19 AM
1555 GROMACS Bug Closed Low selection-test fails if input file has Windows line ending Teemu Murtola 07/09/2014 07:14 AM GROMACS - 5.0.1
1551 Support Platforms Bug Feedback wanted Normal git index.lock issue 05/31/2017 05:37 PM
1548 GROMACS Task Closed Normal Add a warning for or document which architectures / compilers not tested 07/15/2014 12:11 PM GROMACS - 5.0.1
1541 GROMACS Feature Closed Low MSVC 32bit doesn't support SIMD 08/25/2014 06:22 AM
1540 GROMACS Bug Closed Normal tng unit test shows errors Magnus Lundborg 08/10/2014 08:18 PM GROMACS - 5.0.1
1539 GROMACS Bug Closed Low Build fails if xml/fftw include path contains older gmock Teemu Murtola 10/18/2015 05:21 AM GROMACS - 5.0.1
1537 GROMACS Bug Rejected Low Compiling Gromacs with clang in 32bit fails because of large file check 07/12/2014 01:40 AM
1536 TNG trajectory library Bug New Normal TNG uses incorrect format for size_t on 32bit 06/28/2014 03:56 AM
1534 GROMACS Bug Closed Normal Fatal error with ICC 12.1.2 and tMPI causes hang 06/16/2015 11:48 PM
1530 GROMACS Task New Low Offer binary downloads 06/29/2014 02:58 PM
1508 Support Platforms Task New Normal Update master Jenkins build configurations 06/28/2014 03:59 AM
1507 GROMACS Bug Closed Normal Support large systems with TNG Magnus Lundborg 07/15/2014 06:48 AM GROMACS - 5.0
1499 GROMACS Bug Closed Normal Memory bug in solvate 07/15/2014 04:25 PM GROMACS - 4.6.x
1489 GROMACS Feature New Normal Don't solely rely on filename extension 04/30/2014 05:23 AM
1483 GROMACS Task Closed Normal Fix warnings ignored by Jenkins 07/11/2016 07:48 PM
1477 GROMACS Bug Closed Normal tng_io + cmake 3 Magnus Lundborg 06/20/2014 10:40 AM GROMACS - 5.0
1476 GROMACS Bug New Low Odd behavior with verlet-buffer-drift 05/25/2016 01:45 AM GROMACS - future
1454 GROMACS Task Closed Normal Remove gmx_header_config_gen.h Teemu Murtola 05/05/2015 01:06 PM GROMACS - 5.1
1443 GROMACS Bug Closed High Running with separate PME is broken 02/25/2014 07:58 PM GROMACS - 5.0
1435 GROMACS Bug Closed Normal zlib detection is insufficient Magnus Lundborg 04/03/2014 07:37 PM GROMACS - 5.0
1420 GROMACS Feature Closed Normal Fast force reduction for large number of threads Roland Schulz 03/06/2018 11:33 PM
1388 GROMACS Bug Closed Normal Data race in PME with large prime number of threads Berk Hess 08/18/2014 03:05 AM GROMACS - 4.6.x
1386 GROMACS Feature Closed Normal Support more than 32 OpenMP threads Roland Schulz 06/19/2015 01:08 AM
1373 GROMACS Task New Low Add missing nbnxn tests Mark Abraham 06/09/2014 08:36 PM
1355 GROMACS Bug Closed Low ThreadMPI.cmake TestAtomic.c check is not reliable Mark Abraham 12/03/2013 04:22 PM
1263 GROMACS Task Closed Low Test Gromacs with X32 ABI Erik Lindahl 07/15/2014 11:57 AM GROMACS - 5.0
1214 GROMACS Task New Normal Keep track of important changes for Changelog Mark Abraham 06/26/2013 11:24 AM
1132 GROMACS Bug Closed Low 1D pbc above bounds 01/30/2013 01:43 PM
1127 GROMACS Bug Closed Low MPI_Init_thread Berk Hess 06/29/2015 03:25 PM
1126 GROMACS Bug Closed Normal ICC 11 fails regressiontests Roland Schulz 12/16/2013 05:38 PM GROMACS - 4.6.1
1122 GROMACS Feature Closed Normal Allow to force pinning Szilárd Páll 01/07/2019 02:06 AM
1120 GROMACS Feature New Low Make build work with multi-cofiguration generators 06/03/2014 03:04 PM GROMACS - future
1102 GROMACS Feature New Normal Detect incompletely written itp files 06/19/2014 03:23 PM
1093 GROMACS Bug Closed Normal MSVC AVX double precision kernel fail tests Erik Lindahl 12/29/2012 12:23 AM GROMACS - 4.6
1092 GROMACS Bug Closed Normal MSVC AVX nbnxn kernels don't compile Berk Hess 12/29/2012 12:26 AM GROMACS - 4.6
1068 GROMACS Bug Closed Normal SIMD group kernels don't work on 32bit Windows Erik Lindahl 01/10/2013 05:01 PM GROMACS - 4.6
1067 GROMACS Bug Closed Normal ICC links against FFTW-MKL wrapper instead of FFTW library Mark Abraham 12/16/2013 05:38 PM GROMACS - 4.6.1
1051 GROMACS Bug Closed Normal Cuda host compiler with CMake 2.8.10.1 Szilárd Páll 01/07/2013 02:15 PM GROMACS - 4.6
1046 GROMACS Bug Closed Normal FindGROMACS.cmake is missing check for 4.6 Christoph Junghans 05/31/2013 10:41 AM GROMACS - 4.6.2
1045 GROMACS Bug Closed Normal Problem with particle decomposition Berk Hess 06/10/2014 11:33 AM
1043 GROMACS Task Closed Normal Contrib policy Mark Abraham 01/16/2018 05:27 PM GROMACS - 2019
1038 GROMACS Bug Closed High CFLAGS are not updated when ACCLERATION is changed Roland Schulz 01/11/2013 05:04 AM GROMACS - 4.6
1031 GROMACS Task Closed Normal Autoinstall FFTW 12/04/2012 10:51 PM GROMACS - 4.6
1017 GROMACS Task New Normal C++ Vector/Matrix classes 07/11/2016 08:23 PM
999 GROMACS Bug Closed Normal add MYLIB_EXPORT for public API 09/06/2012 07:15 PM
998 GROMACS Bug Closed Normal MSVC AVX flag check isn't working Roland Schulz 11/02/2012 01:57 AM GROMACS - 4.6
997 GROMACS Bug Closed Normal vsite_params invalid stack memory usage Roland Schulz 09/14/2012 05:32 PM GROMACS - 4.5.6
996 GROMACS Task New Normal C++ MPI Framework Roland Schulz 07/14/2014 11:53 AM GROMACS - future
995 GROMACS Bug Closed Normal Better parallel random number generator 04/03/2014 07:47 PM GROMACS - 5.0
993 GROMACS Bug Closed Normal Shell code in single precision gives non-reproducible forces 10/19/2012 04:43 AM GROMACS - 4.6
991 GROMACS Bug Closed Normal gmx_header_config.h should not be configured in the source folder Teemu Murtola 02/08/2014 06:54 AM GROMACS - 5.0
989 GROMACS Bug Closed Normal tpx forward compatibility is broken for files generated with 4.6 10/12/2012 08:18 AM
984 GROMACS Bug Closed Normal valgrind errors in grompp 09/14/2012 05:47 PM GROMACS - 4.6
977 GROMACS Bug Closed High Fix cpack source archive generation: Root folder 07/27/2012 01:19 AM GROMACS - 4.6
975 GROMACS Bug Closed Low gsl ignores GMX_PREFER_STATIC_LIBS 05/22/2014 06:59 PM
958 GROMACS Bug Closed Normal MPI on Windows 07/10/2012 05:11 PM GROMACS - 4.6
952 GROMACS Bug Closed High Add license file to cpack distribution Roland Schulz 11/04/2012 03:57 AM GROMACS - 4.6
949 GROMACS Bug Closed Normal Release plan for 5.0 05/13/2014 09:37 AM
946 GROMACS Bug Closed High Gromacs internal FFT (fftpack) is incorrect for vector length which are multiples of 12 Roland Schulz 06/02/2012 08:00 PM GROMACS - 4.5.6
937 GROMACS Bug Closed Normal OpenMP bug with MSVC 2010 10/12/2012 09:17 PM GROMACS - 4.6
936 GROMACS Bug Rejected Normal ThreadMPI on VS2008 doesn't compile Sander Pronk 07/15/2014 04:26 PM
928 GROMACS Task Closed Normal Add regression tests 03/02/2018 01:48 PM
927 GROMACS Bug Closed High TPI in 4.6 segfauts Berk Hess 04/27/2012 02:35 PM GROMACS - 4.6
926 GROMACS Bug Closed Normal Kernel010 in Single precision on Windows crashes with Segfault Erik Lindahl 06/23/2012 06:56 PM GROMACS - 4.5.6
897 GROMACS Feature Closed Normal Use Static Code Analysis 08/04/2012 11:36 PM
887 GROMACS Task Closed Normal Decide on pointer usage in C++ 07/15/2014 01:47 PM GROMACS - 5.0
854 Support Platforms Bug Closed Normal Remaing problems with Jenkins auto-build Roland Schulz 08/06/2012 09:27 AM
852 GROMACS Bug Closed Normal Jenkins Build for master Roland Schulz 12/11/2011 02:52 AM GROMACS - 5.0
851 GROMACS Bug Closed Normal FindMPI does not work correctly with cmake 2.8.1 and 2.8.2 01/16/2012 04:39 AM
849 GROMACS Bug Closed Normal C++ Compile with MPI fails 06/26/2012 06:25 PM GROMACS - 4.6
845 GROMACS Task Closed Normal Format white space correctly 10/30/2014 12:06 AM GROMACS - 5.0
826 GROMACS Feature Closed Normal Add minspeed command line argument to mdrun Berk Hess 06/18/2015 03:16 PM
810 GROMACS Bug Closed Low CHARMM cp=0 dihedrals are not ignored Mark Abraham 01/09/2013 01:06 PM GROMACS - 4.6
809 GROMACS Bug Closed Normal memory error in mk_graph_ilist for partial waters Roland Schulz 04/19/2012 10:48 AM GROMACS - 4.5.6
800 GROMACS Bug Closed Normal pdb2gmx creates additional incorrect cmap entries Mark Abraham 02/24/2012 05:51 AM GROMACS - 4.5.6
798 GROMACS Bug Closed High SigTerm during file I/O causes gmx_error Sander Pronk 04/16/2012 01:44 PM GROMACS - 4.6
762 GROMACS Bug Closed Normal Truncating files: fopen in append mode doesn't guarantee file pointer at end Roland Schulz 08/29/2011 06:38 PM GROMACS - 4.5.5
692 GROMACS Bug Closed Low Frequency of checking for inter-simulation signalling is too high for large-scale parallel REMD Mark Abraham 06/27/2016 07:32 PM GROMACS - 2016
594 GROMACS Bug Closed Normal MPI_IN_PLACE test does not work Mark Abraham 09/21/2011 11:07 AM
510 GROMACS Bug Closed Normal Stack corruption if strln(getenv("PATH"))>GMX_PATH_MAX Erik Lindahl 08/18/2010 10:00 AM GROMACS - CVS
496 GROMACS Bug Closed Normal coulomb with nb_generic is wrong Erik Lindahl 08/09/2010 10:33 AM GROMACS - CVS
478 GROMACS Bug Closed Normal >2GB files on Windows Erik Lindahl 07/26/2010 07:05 PM GROMACS - CVS
355 GROMACS Bug Closed Normal MPI_BCast error with seppot Erik Lindahl 10/14/2009 06:17 PM GROMACS - CVS
320 GROMACS Bug Closed Normal Restart from Checkpoint with -nosum prints 0 initial temperature Erik Lindahl 05/05/2009 04:36 PM GROMACS - 4.0
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