biod.pnpi.spb.ru / alexxy / gromacs.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Fix tpxio function type update table
[alexxy/gromacs.git] / src /
2020-06-22 Berk HessFix tpxio function type update table tree | commitdiff
2020-06-16 Artem ZhmurovAdd missing end-of-line in the GPU update assignment... tree | commitdiff
2020-06-12 Paul BauerFix false initialization values in gmx hbond tree | commitdiff
2020-06-11 Paul BauerFix false initialization values in gmx hbond tree | commitdiff
2020-06-10 Paul BauerProper fix for gmx do_dssp tree | commitdiff
2020-06-05 Paul BauerFix segmentation fault when reading energy terms tree | commitdiff
2020-06-05 Artem ZhmurovMake a error message less confusing tree | commitdiff
2020-05-07 Berk HessAvoid warning during PME tuning tree | commitdiff
2020-05-05 Paul BauerFix copyright tree | commitdiff
2020-05-04 Paul BauerFix cmake error: Mixed styles of target_link_libraries... tree | commitdiff
2020-04-30 Mark AbrahamFix compiler flag reporting tree | commitdiff
2020-04-29 Artem ZhmurovFix the number of steps check when checkpoint is loaded tree | commitdiff
2020-04-29 Mark AbrahamBaseline commit tree | commitdiff
2020-04-28 Roland SchulzAdd clang WA tree | commitdiff
2020-04-28 Roland SchulzFix MSVC 2019 test failures tree | commitdiff
2020-04-27 Artem ZhmurovFix the removal of COM velocity in case of GPU update tree | commitdiff
2020-04-27 Paul BauerFix segmentation fault in do_dssp tree | commitdiff
2020-04-27 Paul BauerFix warning for return type tree | commitdiff
2020-04-25 Mark AbrahamMove configuration of global headers tree | commitdiff
2020-04-25 Paul BauerFix copyright header tree | commitdiff
2020-04-25 Roland SchulzFix MSVC 2019 warnings tree | commitdiff
2020-04-24 Paul BauerFix parallel testing tree | commitdiff
2020-04-23 Mark AbrahamFix warnings for no-mpi build tree | commitdiff
2020-04-22 Paul BauerCopy of CI from master to 2020 tree | commitdiff
2020-04-14 Pascal MerzReintroduce LJ Ewald tables tree | commitdiff
2020-04-08 Kevin BoydFix line overrun in log file tree | commitdiff
2020-04-03 Pascal MerzFix expanded ensemble on checkpoint restarts tree | commitdiff
2020-04-01 Mark AbrahamFix minor bug with tools time-unit conversions tree | commitdiff
2020-03-30 Mark AbrahamSet buffers appropriately so .xpm files can be read. tree | commitdiff
2020-03-19 Szilárd PállFix DLB initial state reporting tree | commitdiff
2020-03-17 Berk HessDisable Ewald dipole correction without DD tree | commitdiff
2020-03-07 Christoph Junghanscmake: use libsuffix on gmxapi as well tree | commitdiff
2020-03-04 Alan GrayFix seg fault caused by unintended GPU PME coordinate... tree | commitdiff
2020-03-03 Alan GrayAllow PME coordinate send before H2D coordinate transfer tree | commitdiff
2020-03-02 Berk HessFix center of mass motion removal with frozen atoms tree | commitdiff
2020-03-02 Artem ZhmurovUpdate the message on whether update and constraints... tree | commitdiff
2020-03-02 Berk HessFix grompp unbound atom check tree | commitdiff
2020-03-02 Berk HessFix nrdf with partial COMM removal tree | commitdiff
2020-03-02 Berk HessFix too small pairlist buffer on Intel GPUs tree | commitdiff
2020-03-02 Paul BauerRevert "Remove frozen atoms from VCM groups" tree | commitdiff
2020-03-02 Paul BauerRemove frozen atoms from VCM groups tree | commitdiff
2020-02-28 Paul BauerMerge branch release-2019 into release-2020 tree | commitdiff
2020-02-28 Paul BauerDefine all CPU NB kernels tree | commitdiff
2020-02-28 Jonathan VincentMoves call to choose best performaing kernels to pme_gp... tree | commitdiff
2020-02-27 Pascal MerzLoosen gmxapi stopsignaler test tree | commitdiff
2020-02-27 Pascal MerzUse legacy code path for t_graph (modular simulator) tree | commitdiff
2020-02-27 Pascal MerzExtract and expose function to determine whether molecu... tree | commitdiff
2020-02-26 Pascal MerzFix constraint contribution to dhdl (modular simulator) tree | commitdiff
2020-02-26 Szilárd PállAvoid mdrun terminate due to GPU sanity check errors tree | commitdiff
2020-02-26 Pascal MerzFix calculation of reciprocal terms in rerun tree | commitdiff
2020-02-25 Magnus LundborgFix out of sync checkpoint files in simulations sharing... tree | commitdiff
2020-02-25 Szilárd PállImprove GPU update tasks assignment consistency tree | commitdiff
2020-02-25 Paul BauerAvoid integer overflow in dispersion correction tree | commitdiff
2020-02-25 Paul BauerRevert "Expose vsite counting" tree | commitdiff
2020-02-22 David van der SpoelFixed bug in gmx disre due to inconsistency in input. tree | commitdiff
2020-02-21 Pascal MerzUse legacy code path for NMR restraints (modular simulator) tree | commitdiff
2020-02-21 Pascal MerzCorrect for skewed box in non-DD modular simulator tree | commitdiff
2020-02-21 Berk HessAdd fatal error when multisim runs sharing state have... tree | commitdiff
2020-02-20 David van der SpoelFixed bug in orires code that was checking too strict. tree | commitdiff
2020-02-20 David van der SpoelFixed bug in orires code that was checking too strict. tree | commitdiff
2020-02-14 Pascal MerzExpand test coverage of exact continuation tests tree | commitdiff
2020-02-14 Pascal MerzFix reading of checkpoints with Parrinello-Rahman ... tree | commitdiff
2020-02-14 Pascal MerzFix Parrinello-Rahman scaling on initial step (modular... tree | commitdiff
2020-02-14 Pascal MerzMove modular simulator decision before checkpoint loading tree | commitdiff
2020-02-13 Pascal MerzFix checkNumberOfBondedInteractions bug tree | commitdiff
2020-02-13 Pascal MerzExpose vsite counting tree | commitdiff
2020-02-11 Szilárd PállFix incorrect GPU update task assignment fallback tree | commitdiff
2020-02-10 Szilárd PállAvoid (re)initializing GPU update without DD tree | commitdiff
2020-02-05 Alan GrayBug fix to avoid passing null object into cudaDestroyTe... tree | commitdiff
2020-02-05 Berk HessActually fix PME forces with FE without perturbed q/LJ tree | commitdiff
2020-02-04 Berk HessActually fix PME forces with FE without perturbed q/LJ tree | commitdiff
2020-01-24 Szilárd PállFix deadlock in PP-PME balancing startup delay tree | commitdiff
2020-01-23 Berk HessFix DD rank count prime check tree | commitdiff
2020-01-23 Artem ZhmurovFix a couple of commas in cool quotes tree | commitdiff
2020-01-23 Gaurav GargFix PME checks in GPU update assignment decision tree | commitdiff
2020-01-22 Berk HessFix illegal memory access in PME communication tree | commitdiff
2020-01-22 Berk HessClarify COMM/posres grompp note tree | commitdiff
2020-01-21 Paul BauerFix documentation error with doxygen >1.8.16 tree | commitdiff
2020-01-17 Berk HessAdd check for shells and GPU update tree | commitdiff
2020-01-16 Szilárd PállFix PME run mode without PME tree | commitdiff
2020-01-16 Paul BauerFix nightly build failure on Gitlab tree | commitdiff
2020-01-15 Berk HessFix multisim with parallel simulation tree | commitdiff
2020-01-13 Artem ZhmurovReport if update is running on the GPU or on the CPU tree | commitdiff
2020-01-08 Roland SchulzMerge release-2019 into release-2020 tree | commitdiff
2020-01-07 Roland SchulzWorkaround for ICC 19u5 and 20initial tree | commitdiff
2020-01-01 Erik LindahlAdd link to paper explaining GROMOS twin-range issues. tree | commitdiff
2019-12-31 Mark AbrahamAvoid 386 O3 codegen bug even more tree | commitdiff
2019-12-31 Artem ZhmurovInform user why forcing GPU update is not possible tree | commitdiff
2019-12-31 Artem ZhmurovFix gpuupdate matrix tree | commitdiff
2019-12-30 Mark AbrahamTests that verify serializer behaviours tree | commitdiff
2019-12-30 Mark AbrahamRemove use of tuple in LINCS code for GPU implementation tree | commitdiff
2019-12-29 Erik LindahlWrite TPR body as opaque XDR data in big-endian format tree | commitdiff
2019-12-28 Artem ZhmurovChange the behavior of the GPU update UI tree | commitdiff
2019-12-28 Mark AbrahamMerge "Merge origin/release-2019 into release-2020... tree | commitdiff
2019-12-27 Artem ZhmurovAdd a note to the log file when -update gpu was set... tree | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 tree | commitdiff
2019-12-27 Artem ZhmurovClean bad auto-format in decidegpuusage doxygen comments tree | commitdiff
2019-12-23 Paul BauerRevert "Fix that tests intended for multiple ranks... tree | commitdiff
2019-12-20 Christian BlauRemove problematic output of gmx angle tree | commitdiff
2019-12-20 Szilárd PállEnable buffer ops when GMX_GPU_DD_COMMS is set tree | commitdiff
next
Local GROMACS mirror with custom stuff