alexxy/gromacs.git
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
2019-01-30 Szilárd PállFix double-increment of GPU NB launch subcounter
2019-01-30 Mark AbrahamFix release notes issue links
2019-01-30 Mark AbrahamFix release notes issue links
2019-01-29 Teemu MurtolaAvoid warnings with Apple Clang
2019-01-28 Mark AbrahamStop trying to check nvcc on Windows
2019-01-25 Roland SchulzWork-around for ICC bug in simd-tests
2019-01-24 Paul BauerChange gcov to run on bs-mic
2019-01-23 Roland SchulzMerge release-2018 into release-2019
2019-01-23 Paul BauerChange gcov to run on bs-mic
2019-01-23 Berk HessFix error with 2D/3D DLB
2019-01-22 Paul BauerPrepare for 2018.6
2019-01-22 Paul BauerVersion 2018.5
2019-01-22 Christoph JunghansgmxManageLmfit.cmake: enforce usage of 7.0
2019-01-21 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc
2019-01-21 Mark AbrahamFix trjconv -ndec
2019-01-18 Mark AbrahamDisabled internal clFFT when using MSVC with OpenCL
2019-01-18 Mark AbrahamImprove nvcc error reporting
2019-01-16 Mark AbrahamMigrate test configuration off bs_mac
2019-01-16 Paul BauerFix memory leak in solvate
2019-01-14 Mark AbrahamImprove portability of PME on GPU code
2019-01-13 Teemu MurtolaUse label to select doxygen version
2019-01-11 Mark AbrahamFix typo in release notes
2019-01-10 Mark AbrahamAdd more checks for division by zero
2019-01-09 Berk HessFix gcc-8 release warnings in tng_io
2019-01-08 Mark AbrahamFix trjconv -ndec
2019-01-08 Mark AbrahamSimplify reporting of GPU selection
2019-01-07 Paul BauerRemove DOI entries when not on release patch
2019-01-04 Szilárd PállFix formatting warning
2019-01-04 Christoph JunghansgmxManageLmfit.cmake: enforce usage of 7.0
2019-01-03 Berk HessFix segmentation fault in DD code
2019-01-02 Szilárd PállDo not whitelist the use of OpenCL 1.1 API
2018-12-31 Paul BauerPrepare for 2019.1
2018-12-31 Paul BauerGROMACS 2019 release
2018-12-31 Szilárd PállFix release notes typo
2018-12-31 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc
2018-12-31 Kevin BoydOnly report intra-sim communication with multiple ranks
2018-12-31 Paul BauerMerge branch release-2018 into release-2019
2018-12-27 Paul BauerDocument OpenCL timer issue.
2018-12-22 Paul BauerFix mdrun -nb GPU on non-gpu builds
2018-12-22 Szilárd PállRuntime check of device OpenCL support
2018-12-22 Mark AbrahamFix unused parameter warning
2018-12-22 Aleksei IupinovAdd a sanity check for OpenCL devices
2018-12-22 Jiannan LiuMissing factor of 2 in cos-acceleration
2018-12-21 Szilárd PállMake jenkins own-fftw verify use local tarball
2018-12-20 Szilárd PállFix CUDA compiled target-device compatibility check
2018-12-20 Szilárd PállCorrect CUDA compatibility check
2018-12-20 Szilárd PállMerge "Merge branch release-2018 into release-2019...
2018-12-19 M. Eric IrrgangRestrict number of OpenMP threads during testing.
2018-12-19 Jiannan LiuMissing factor of 2 in cos-acceleration
2018-12-17 Szilárd PállFix GMX_BUILD_OWN_FFTW_URL CMake cache entry type
2018-12-17 Paul BauerAdd matrix entry to test external FFTW build
2018-12-17 Paul BauerFix FFTW build
2018-12-17 Paul BauerCopy parallelisation info from old webpage
2018-12-17 Paul BauerMerge branch release-2018 into release-2019
2018-12-14 Berk HessFix LINCS triangle constraining with OpenMP
2018-12-14 Paul BauerGROMACS 2019 Release candidate
2018-12-14 Berk HessFixed nullptr derefence in LINCS error
2018-12-14 Magnus LundborgSet HAVE_LMFIT properly
2018-12-14 Berk HessFix LINCS triangle constraining with OpenMP
2018-12-14 Szilárd PállEnable ARMPL in the armclang build
2018-12-13 Roland SchulzRemove unused MdrunComparisonFixture
2018-12-13 Szilárd PállAvoid spurious timing in bonded GPU launch subcounter
2018-12-13 Szilárd PállDocument the FP exception in cuFFT 7.0
2018-12-12 Berk HessTemporary fix for OpenCL PME gather
2018-12-12 Szilárd PállImprove DLB report/note
2018-12-11 Paul BauerProperly check for MSVC in build script
2018-12-11 Szilárd PállTweak the bonded GPU energy copy/wait operations
2018-12-11 Berk HessFix update groups with 2D/3D DLB
2018-12-11 Berk HessMake large PME grids work on GPU
2018-12-11 Berk HessDocument mdrun mdp option modification
2018-12-10 Paul BauerDisable gmxapi by default
2018-12-10 Mark AbrahamMake only mdrun report process ID
2018-12-10 Pascal MerzFailproof signal conversion
2018-12-10 Paul BauerMake release notes html only
2018-12-10 Paul BauerChange toctree depth in PDF manual
2018-12-09 Mark AbrahamFix POWER8 and POWER9 build
2018-12-06 boristimUpdates to do_dssp
2018-12-06 Szilárd PállAdd Bonded GPU launch overhead cycle subcounter
2018-12-06 Szilárd PállSwap the order of GPU bonded and nonbonded launch
2018-12-06 Szilárd PállFix conditional in nonlocal nbnxn GPU work skipping
2018-12-06 Szilárd PállSplit nbnxn input copy and kernel launch
2018-12-05 Szilárd PállCorrect thread count in the PME GPU reduction
2018-12-05 Berk HessAdd update groups to parallelization docs
2018-12-05 Berk HessMake large PME grids work on GPU
2018-12-03 Mark AbrahamMove responsibility for PME reduction to its module
2018-12-03 Paul BauerFix energy history reading
2018-11-30 Paul BauerRecreate flowchart figure
2018-11-29 Paul BauerMore fixes for ImageMagick test script
2018-11-29 Viacheslav... Added reference-manual entry for MiMiC
2018-11-29 Paul BauerFix energy history reading
2018-11-29 Magnus LundborgMake pull with COM from previous step work with MPI
2018-11-29 Paul BauerMake Imagemagick availability more visible
2018-11-29 Mark AbrahamRemoved erronous manual variable handling
2018-11-29 Paul BauerFix reference manual image sizes
2018-11-29 Paul BauerFix reference manual doc build
2018-11-28 Paul BauerFix gcc-8 warnings
2018-11-28 Mark AbrahamIntroduce GpuBonded
2018-11-27 Szilárd PállAdd ARMPL support to admin script
2018-11-27 Szilárd PállAdd tweaks to support ARMPL for FFTs
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