?  search:
summary | log | graphiclog1 | graphiclog2 | commit | commitdiff | tree | refs | edit | fork
first · prev · next
Fix no-MPI CUDA build
2019-09-24 Mark AbrahamFix no-MPI CUDA build
 commit | commitdiff | tree
2019-09-24 Mark AbrahamMerge "Merge branch release-2019 into master"
 commit | commitdiff | tree
2019-09-24 Mark AbrahamFix clang unused-function warnings
 commit | commitdiff | tree
2019-09-23 Mark AbrahamFixes to broken CUDA compiler flags
 commit | commitdiff | tree
2019-09-23 Mark AbrahamFix 1D-1pulse support
 commit | commitdiff | tree
2019-09-20 Mark AbrahamRefactor to create a GpuTaskAssignments object
 commit | commitdiff | tree
2019-09-19 Mark AbrahamUse GPU halo exchange only when compatible DD is available
 commit | commitdiff | tree
2019-09-19 Mark AbrahamFurther improve getDDGridSetup
 commit | commitdiff | tree
2019-09-16 Mark AbrahamAvoid short-range GPU operations with no work
 commit | commitdiff | tree
2019-09-12 Mark AbrahamDisable report-methods end-to-end test
 commit | commitdiff | tree
2019-09-11 Mark AbrahamMake gmx_multisim_t a C++ object
 commit | commitdiff | tree
2019-09-11 Mark AbrahamFix multi-sim restart handling in corner cases
 commit | commitdiff | tree
2019-09-10 Mark AbrahamAvoid warning in no-mpi build
 commit | commitdiff | tree
2019-09-10 Mark AbrahamUse more RAII semantics with t_commrec
 commit | commitdiff | tree
2019-09-06 Mark AbrahamClean up commrec uniformly
 commit | commitdiff | tree
2019-09-05 Mark AbrahamUpdate mdrun test comparison infrastructure
 commit | commitdiff | tree
2019-09-03 Mark AbrahamSimplify energy-file comparisons in tests
 commit | commitdiff | tree
2019-09-02 Mark AbrahamMove initialization of clFFT
 commit | commitdiff | tree
2019-08-30 Mark AbrahamFix build matrices
 commit | commitdiff | tree
2019-08-29 Mark AbrahamMore quotes
 commit | commitdiff | tree
2019-08-28 Mark AbrahamFix integration issues
 commit | commitdiff | tree
2019-08-28 Mark AbrahamImproved usability of grompp by rejecting more invalid...
commit | commitdiff | tree
2019-08-27 Mark AbrahamAdd integration tests for exact restarts
 commit | commitdiff | tree
2019-08-26 Mark AbrahamMake FEP rerun tests cover the intended lambda space
 commit | commitdiff | tree
2019-08-26 Mark AbrahamConverted a CUDA config to use clang host-only compilation
 commit | commitdiff | tree
2019-08-26 Mark AbrahamFix pairlist bug
 commit | commitdiff | tree
2019-08-23 Mark AbrahamUpdate clang-tidy to clang version 8
 commit | commitdiff | tree
2019-08-22 Mark AbrahamMerge branch release-2019
 commit | commitdiff | tree
2019-08-22 Mark AbrahamImprove clang-analyzer build time
 commit | commitdiff | tree
2019-08-22 Mark AbrahamFix release matrix
 commit | commitdiff | tree
2019-08-21 Mark AbrahamImprove organization of LINCS reporting
 commit | commitdiff | tree
2019-08-20 Mark AbrahamApply clang-tidy-8 readability-uppercase-literal-suffix
 commit | commitdiff | tree
2019-08-20 Mark AbrahamUse potential-shift as default modifier
 commit | commitdiff | tree
2019-08-20 Mark AbrahamReduce cosine acceleration quantity properly
 commit | commitdiff | tree
2019-08-20 Mark AbrahamFix issues for clang-analyzer-8
 commit | commitdiff | tree
2019-08-19 Mark AbrahamModernize t_matrix, t_mapping, t_rgb
 commit | commitdiff | tree
2019-08-19 Mark AbrahamModernize t_psdata
 commit | commitdiff | tree
2019-08-16 Mark AbrahamUpdate testing matrices and fix warnings
 commit | commitdiff | tree
2019-08-16 Mark AbrahamMove keyvaluetreewriter code
 commit | commitdiff | tree
2019-08-16 Mark AbrahamStop nbnxm/grid.h depending on SIMD module
 commit | commitdiff | tree
2019-08-15 Mark AbrahamRemove run-time check from calc_shifts
 commit | commitdiff | tree
2019-08-14 Mark AbrahamFix vv integrators
 commit | commitdiff | tree
2019-08-13 Mark AbrahamRemove workaround for buggy cmake
 commit | commitdiff | tree
2019-08-13 Mark AbrahamFix icc 19 codegen issue
 commit | commitdiff | tree
2019-08-12 Mark AbrahamQuiet warning
 commit | commitdiff | tree
2019-08-12 Mark AbrahamFix ocl_kernel target
 commit | commitdiff | tree
2019-08-08 Mark AbrahamFix estimate of the size of a j list
 commit | commitdiff | tree
2019-08-08 Mark AbrahamInitialize gmx_ekindata_t and t_vcm properly
 commit | commitdiff | tree
2019-08-08 Mark AbrahamStop testing ICC on Windows
 commit | commitdiff | tree
2019-08-06 Mark AbrahamFix for MSVC+CUDA
 commit | commitdiff | tree
2019-08-05 Mark AbrahamAdd quote
 commit | commitdiff | tree
2019-08-05 Mark AbrahamRemove libgromacs_generated contributions from FindCUDA...
commit | commitdiff | tree
2019-08-01 Mark AbrahamManage compiler flags and some include options per...
commit | commitdiff | tree
2019-08-01 Mark AbrahamImprove use of object libraries in libgromacs
 commit | commitdiff | tree
2019-08-01 Mark AbrahamMerge "Merge release-2019 into master"
 commit | commitdiff | tree
2019-07-24 Mark AbrahamRemove tests of make_unique
 commit | commitdiff | tree
2019-07-23 Mark AbrahamUpdate developer guide
 commit | commitdiff | tree
2019-07-16 Mark AbrahamAdd gpubufferops test matrix
 commit | commitdiff | tree
2019-07-11 Mark AbrahamFix pre-submit build matrix and description
 commit | commitdiff | tree
2019-07-08 Mark AbrahamFix hwloc and sphinx detection
 commit | commitdiff | tree
2019-07-08 Mark AbrahamTest specific hwloc versions
 commit | commitdiff | tree
2019-07-05 Mark AbrahamImprove tests of index block construction
 commit | commitdiff | tree
2019-07-05 Mark AbrahamModernize FindHwloc.cmake
 commit | commitdiff | tree
2019-07-04 Mark AbrahamFurther clang-tidy-7 fix
 commit | commitdiff | tree
2019-07-04 Mark AbrahamFix clang-tidy-7 issues
 commit | commitdiff | tree
2019-07-03 Mark AbrahamReorder options
 commit | commitdiff | tree
2019-07-02 Mark AbrahamClarify wording of release notes
 commit | commitdiff | tree
2019-06-18 Mark AbrahamMove code handling mdrun -gpu_id to taskassignment...
commit | commitdiff | tree
2019-06-12 Mark AbrahamFix pygments detection for sphinx for docs build
 commit | commitdiff | tree
2019-06-11 Mark AbrahamUse RAII approaches for hardware information detection
 commit | commitdiff | tree
2019-06-11 Mark AbrahamClean up multisim, communication, and REMD code
 commit | commitdiff | tree
2019-06-11 Mark AbrahamInitialize all of gmx_domdec_comm_t
 commit | commitdiff | tree
2019-05-24 Mark AbrahamReorder code before thread-MPI spawns threads
 commit | commitdiff | tree
2019-05-23 Mark AbrahamTeach ArrayRefWithPadding to make a const flavour
 commit | commitdiff | tree
2019-05-23 Mark AbrahamRevert "Fixed dvdlambda for SHAKE + FE"
 commit | commitdiff | tree
2019-05-22 Mark AbrahamRewrite starting behavior
 commit | commitdiff | tree
2019-05-22 Mark AbrahamIntroduce tri-state enums for restarts
 commit | commitdiff | tree
2019-05-22 Mark AbrahamMove functionality to mdrunutility
 commit | commitdiff | tree
2019-05-20 Mark AbrahamFix equation typo
 commit | commitdiff | tree
2019-05-14 Mark AbrahamUpdate infrastructure needed for restart rewrite
 commit | commitdiff | tree
2019-05-08 Mark AbrahamProvide hook for forks of GROMACS to describe themselves
 commit | commitdiff | tree
2019-05-07 Mark AbrahamProvide better help for using libc++
 commit | commitdiff | tree
2019-05-07 Mark AbrahamAdd an example of using an MPI wrapper compiler
 commit | commitdiff | tree
2019-05-06 Mark AbrahamImprove how mdrun -noappend names output files
 commit | commitdiff | tree
2019-05-03 Mark AbrahamMore tests for how mdrun -cpi restarts handle files
 commit | commitdiff | tree
2019-05-02 Mark AbrahamEnhance path search functions
 commit | commitdiff | tree
2019-04-30 Mark AbrahamTest the output of "gmx mdrun help"
 commit | commitdiff | tree
2019-04-25 Mark AbrahamUpdate style guide about class enums
 commit | commitdiff | tree
2019-04-23 Mark AbrahamClarify pushing of interaction types
 commit | commitdiff | tree
2019-04-23 Mark AbrahamUpdated clang -Weverything checks to clang-7
 commit | commitdiff | tree
2019-04-18 Mark AbrahamCreate gmx::compat::optional
 commit | commitdiff | tree
2019-04-18 Mark AbrahamMove pull work struct out of inputrec
 commit | commitdiff | tree
2019-04-18 Mark AbrahamImprove swapcoords session lifetime management
 commit | commitdiff | tree
2019-04-17 Mark AbrahamFix post-submit
 commit | commitdiff | tree
2019-04-16 Mark AbrahamRemoved mdrun -gcom
 commit | commitdiff | tree
2019-04-13 Mark AbrahamFix self-consistency tests of hwloc data structures
 commit | commitdiff | tree
2019-04-12 Mark AbrahamImprove warning messages about duplicate definitions
 commit | commitdiff | tree
2019-04-10 Mark AbrahamStart making IMD and swap model IMDModule
 commit | commitdiff | tree
2019-04-10 Mark AbrahamReuse rvecs_differ in InteractiveMD module
 commit | commitdiff | tree
2019-04-10 Mark AbrahamMake ImdSession into a Pimpl-ed class with factory...
commit | commitdiff | tree
next
The ultimate molecular dynamics simulation package