Public Git Hosting - gromacs.git/search

2020-09-28	Alan Gray	Remove single-dimension limitation from GPU halo exchange	commit \| commitdiff \| tree
2020-09-28	Andrey Alekseenko	Fix error in ensureReferenceCount	commit \| commitdiff \| tree
2020-09-27	Pascal Merz	Compare trajectories to reference data	commit \| commitdiff \| tree
2020-09-23	Mark Abraham	Report name of missing OpenCL kernels	commit \| commitdiff \| tree
2020-09-21	Mark Abraham	Wrong logic was used	commit \| commitdiff \| tree
2020-09-21	Paul Bauer	Add OpenSSH to docs build images	commit \| commitdiff \| tree
2020-09-16	Berk Hess	Remove unnecessary condition in DD force buffer resizing	commit \| commitdiff \| tree
2020-09-15	Paul Bauer	Fix missing installed files for OpenCL PME	commit \| commitdiff \| tree
2020-09-15	Erik Lindahl	Fix minor warnings noticed by Intel compilers	commit \| commitdiff \| tree
2020-09-15	Artem Zhmurov	Fix VSite out of range error message	commit \| commitdiff \| tree
2020-09-11	Paul Bauer	Remove leftover data after refactoring	commit \| commitdiff \| tree
2020-09-11	Paul Bauer	Fix doxygen for unused parameters.	commit \| commitdiff \| tree
2020-09-10	Paul Bauer	Minor fix to the printout for regtest builds	commit \| commitdiff \| tree
2020-09-10	Artem Zhmurov	Use device information object instead of id when performing...	commit \| commitdiff \| tree
2020-09-10	Joe Jordan	Replace GMX_ASSERT with assert in vectypes.h	commit \| commitdiff \| tree
2020-09-09	Artem Zhmurov	Restore GMX_FORCE_UPDATE_DEFAULT_GPU environment varible...	commit \| commitdiff \| tree
2020-09-08	Andrey Alekseenko	Fix clang-tidy warning	commit \| commitdiff \| tree
2020-09-08	Andrey Alekseenko	Fix "GPU detection deactivated" message when it in...	commit \| commitdiff \| tree
2020-09-07	Christian Blau	Fix clang-format failure in coordinatetransformation.h	commit \| commitdiff \| tree
2020-09-07	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2020-09-02	Berk Hess	Move listed and wall forces out of do_force_lowlevel()	commit \| commitdiff \| tree
2020-08-27	M. Eric Irrgang	Use a heap object for inputrec in gmx::Mdrunner::mdrunner().	commit \| commitdiff \| tree
2020-08-20	Alan Gray	Fix bug in Lincs GPU setup	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Fix isHostMemoryPinned for changes in CUDA 11.0	commit \| commitdiff \| tree
2020-08-07	Alan Gray	Revert "Modernize STL usage" for fixedCapacityVector	commit \| commitdiff \| tree
2020-07-30	M. Eric Irrgang	Remove disabled test for superseded feature.	commit \| commitdiff \| tree
2020-07-27	Artem Zhmurov	Fix clang-tidy warning	commit \| commitdiff \| tree
2020-07-24	Simon Christ	Assertion string and typo fix	commit \| commitdiff \| tree
2020-07-07	Christian Blau	Move finalising routine into mtop	commit \| commitdiff \| tree
2020-07-07	Paul Bauer	Move densityfitting to its own directory	commit \| commitdiff \| tree
2020-07-07	Kevin Boyd	Add stricter ASAN checks	commit \| commitdiff \| tree
2020-06-29	Paul Bauer	Make everything run on Gitlab infrastructure.	commit \| commitdiff \| tree
2020-06-24	Paul Bauer	Fix warning about needing config.h	commit \| commitdiff \| tree
2020-06-16	Artem Zhmurov	Add missing end-of-line in the GPU update assignment...	commit \| commitdiff \| tree
2020-06-05	Artem Zhmurov	Move calculation of kinetic energy to md_support	commit \| commitdiff \| tree
2020-06-05	Paul Bauer	Fix failing webpage build	commit \| commitdiff \| tree
2020-06-04	Artem Zhmurov	Make a error message less confusing	commit \| commitdiff \| tree
2020-06-04	Artem Zhmurov	Update the release notes	commit \| commitdiff \| tree
2020-06-03	Berk Hess	Fix missing PBC in SHAKE	commit \| commitdiff \| tree
2020-05-29	Paul Bauer	Add test for InteractionList	commit \| commitdiff \| tree
2020-05-25	Artem Zhmurov	Remove dependence on t_mdatoms from GPU version of...	commit \| commitdiff \| tree
2020-05-23	Artem Zhmurov	Remove dependence on t_mdatoms from pull code	commit \| commitdiff \| tree
2020-05-22	Artem Zhmurov	Remove dependence of constraints on t_mdatoms	commit \| commitdiff \| tree
2020-05-20	Paul Bauer	Fix compile errors	commit \| commitdiff \| tree
2020-05-20	M. Eric Irrgang	Make sure images have /usr/bin/python	commit \| commitdiff \| tree
2020-05-19	Berk Hess	Refactor print_missing_interactions()	commit \| commitdiff \| tree
2020-05-19	Paul Bauer	Remove unnecessary includes of arrayref.h	commit \| commitdiff \| tree
2020-05-11	Artem Zhmurov	Remove the duplicating note from the release notes	commit \| commitdiff \| tree
2020-04-29	Artem Zhmurov	Fix the number of steps check when checkpoint is loaded	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Fixed several clang-tidy issues	commit \| commitdiff \| tree
2020-04-16	Artem Zhmurov	New cool quote	commit \| commitdiff \| tree
2020-04-01	Mark Abraham	Fix minor bug with tools time-unit conversions	commit \| commitdiff \| tree
2020-03-25	Artem Zhmurov	Make use of the DeviceStreamManager	commit \| commitdiff \| tree
2020-03-20	Artem Zhmurov	Add OpenCL error reporting to GPU region timer	commit \| commitdiff \| tree
2020-03-19	Szilárd Páll	Fix DLB initial state reporting	commit \| commitdiff \| tree
2020-03-18	Mark Abraham	Fix unused variable in PME OpenCL kernel	commit \| commitdiff \| tree
2020-03-18	Artem Zhmurov	Make some doxygen errors more clear	commit \| commitdiff \| tree
2020-03-13	Mark Abraham	Require padded atom data for PME GPU	commit \| commitdiff \| tree
2020-03-11	Szilárd Páll	Reorganize dipole calculation in do_force	commit \| commitdiff \| tree
2020-03-11	Artem Zhmurov	Fix the post-submit failures	commit \| commitdiff \| tree
2020-03-11	Christian Blau	Amend optional documentation	commit \| commitdiff \| tree
2020-03-09	Mark Abraham	Consolidate PME GPU spline infrastructure	commit \| commitdiff \| tree
2020-03-07	Paul Bauer	Add clang-tidy script	commit \| commitdiff \| tree
2020-03-05	Berk Hess	Add InteractionDefinitions	commit \| commitdiff \| tree
2020-03-04	Magnus Lundborg	Separate AWH parameter reading and checking	commit \| commitdiff \| tree
2020-03-03	Artem Zhmurov	Move the PmePPCommGpu initialization from forcerec...	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Add Cuda build to gitlab CI	commit \| commitdiff \| tree
2020-02-25	Artem Zhmurov	Fix the RVec to float3 conversion test	commit \| commitdiff \| tree
2020-02-22	David van der Spoel	Fixed bug in gmx disre due to inconsistency in input.	commit \| commitdiff \| tree
2020-02-22	Artem Zhmurov	Add missing header and disable failing test	commit \| commitdiff \| tree
2020-02-20	Artem Zhmurov	Do not call PME GPU builder in CPU code paths	commit \| commitdiff \| tree
2020-02-20	Artem Zhmurov	Use GROMACS wrappers for EXPECT_THROW/NO_THROW in PME...	commit \| commitdiff \| tree
2020-02-17	Szilárd Páll	Add simulation workload flag for dipole computation	commit \| commitdiff \| tree
2020-02-15	Szilárd Páll	Fix gpuudpate and gpucomm matrix docs	commit \| commitdiff \| tree
2020-02-15	Berk Hess	Remove 1 pulse DD request	commit \| commitdiff \| tree
2020-02-15	Alan Gray	Multiple pulses for GPU Halo Exchange	commit \| commitdiff \| tree
2020-02-11	Artem Zhmurov	Clean up trivial function and duplicating macroses...	commit \| commitdiff \| tree
2020-02-11	Artem Zhmurov	Fix the nightly failure	commit \| commitdiff \| tree
2020-02-08	Artem Zhmurov	Temporary disable RVec->float3 conversion test to fix...	commit \| commitdiff \| tree
2020-02-06	Artem Zhmurov	Move DeviceInfo into GPU traits	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Make OpenCL DeviceVendor into enum class and move to...	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Move non-bonded initialization out of the forcerec	commit \| commitdiff \| tree
2020-02-05	Pascal Merz	Test PaddedVector to ArrayRef conversion	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Fix typo in and remove a couple of duplicates from...	commit \| commitdiff \| tree
2020-02-01	Artem Zhmurov	Couple cool quotes	commit \| commitdiff \| tree
2020-02-01	Artem Zhmurov	Merge "Merge branch origin/release-2020 into master"	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Reorganize GPU stuff initialization in PME-only ranks	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Rename UpdateConstraintsCuda to UpdateConstraintsGpu	commit \| commitdiff \| tree
2020-01-24	Paul Bauer	Add cool quotes	commit \| commitdiff \| tree
2020-01-24	Szilárd Páll	Fix deadlock in PP-PME balancing startup delay	commit \| commitdiff \| tree
2020-01-22	Berk Hess	Clarify COMM/posres grompp note	commit \| commitdiff \| tree
2020-01-19	Szilárd Páll	Template X buffer ops on setFillerCoords	commit \| commitdiff \| tree
2020-01-09	Artem Zhmurov	Change signature of the setPbc(...) method in update...	commit \| commitdiff \| tree
2020-01-09	Artem Zhmurov	Make PBC type enumeration into PbcType enum class	commit \| commitdiff \| tree
2020-01-09	Alan Gray	Fix memory address bug in GPU PME coordinate address...	commit \| commitdiff \| tree
2019-12-30	Mark Abraham	Remove use of tuple in LINCS code for GPU implementation	commit \| commitdiff \| tree
2019-12-20	Paul Bauer	Fix wrong header in release notes	commit \| commitdiff \| tree
2019-12-18	Alan Gray	Fix conditional on assertion for combining GPU Update...	commit \| commitdiff \| tree
2019-12-17	Berk Hess	Add note for COM removal with position restraints	commit \| commitdiff \| tree
2019-12-17	Artem Zhmurov	Clean-up buffer-ops CUDA kernels	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom