Graphlammm-devel
Graph
lammm-devel
History Graph
History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 17c17ac40996 | Axel Kohlmeyer | update multi-threaded neighbor list build for neighbor list refactor | Oct 18 2017 | ||||
| 39ededd46cf7 | Axel Kohlmeyer | update respa/omp integrator style for neighbor list refactor | Oct 18 2017 | ||||
| 2c7528811d7f | Axel Kohlmeyer | update several pair styles to be compliant with refactored respa lists data… | Oct 18 2017 | ||||
| 0966e14e73a7 | Steve Plimpton | more changes to rRESPA neighbor lists | Oct 18 2017 | ||||
| 59de1a71c8cd | Axel Kohlmeyer | Merge branch 'history' of github.com:lammps/lammps into history | Oct 16 2017 | ||||
| 5fb5f70ec684 | Axel Kohlmeyer | update USER-OMP code for shear history neighbor refactoring | Oct 16 2017 | ||||
| f6ddc8c7c9ba | Stan Moore | Fix compile errors from neigh history refactor | Oct 13 2017 | ||||
| 53aa92cfafd1 | Axel Kohlmeyer | add support for neighbor list history refactoring in USER-OMP part 2 | Oct 11 2017 | ||||
| 7e35042c42e9 | Axel Kohlmeyer | add support for neighbor list history refactoring in USER-OMP part 1 | Oct 11 2017 | ||||
| 01051e4cb13c | Steve Plimpton | refactoring of neighbor history | Oct 11 2017 | ||||
| 93c9a9274319 | Steve Plimpton/GitHub | Merge pull request #684 from irisTa56/bugfix-in-domain.cpp | Oct 9 2017 | ||||
| 14dc1c698c60 | Steve Plimpton/GitHub | Merge pull request #683 from wmbrownIntel/pppm_intel_fix | Oct 9 2017 | ||||
| a1f5693fe08e | Steve Plimpton/GitHub | Merge pull request #681 from lammps/dump-modify | Oct 9 2017 | ||||
| 534b7adde4b3 | irisTa56 | Bugfix for checking image flags | Oct 9 2017 | ||||
| 02646100e91f | Axel Kohlmeyer | correct handling of "at" keyword for netcdf dumps as suggested by @pastewka in… | Oct 9 2017 | ||||
| 7e58f084d226 | Michael Brown | Fixing bug in pppm/intel for AVX-512 with single precision and ik diff. This… | Oct 8 2017 | ||||
| 88a33edb5022 | Steve Plimpton/GitHub | Merge pull request #680 from lammps/map-yes | Oct 7 2017 | ||||
| 6820db99e22f | Axel Kohlmeyer | avoid merge conflict | Oct 6 2017 | ||||
| 58e1969de241 | Axel Kohlmeyer | rename misleading "CPU time" into "Time spent" | Oct 6 2017 | ||||
| e91e505fb36e | Steve Plimpton | remove dependence of dump modify 'at' and 'append' | Oct 6 2017 | ||||
| f7cbdcf99584 | Steve Plimpton/GitHub | Merge pull request #673 from pastewka/17_dump_nc2 | Oct 6 2017 | ||||
| 4cfa88b70f90 | Steve Plimpton/GitHub | Merge pull request #674 from wmbrownIntel/user-intel-update | Oct 6 2017 | ||||
| 352a20fc1cb7 | Lars Pastewka | DOC: Updated doc to separate description of 'append' and 'at' keywords. | Oct 6 2017 | ||||
| dc0e20947ee7 | Lars Pastewka | MAINT: Return error when 'at' keyword is used without 'append yes'. | Oct 6 2017 | ||||
| 05847a0e8713 | Axel Kohlmeyer/GitHub | Merge branch 'master' into user-intel-update | Oct 6 2017 | ||||
| 439c2fd980f8 | Steve Plimpton/GitHub | Merge pull request #677 from stanmoore1/kk_update | Oct 6 2017 | ||||
| 15853a0e38dc | Steve Plimpton/GitHub | Merge pull request #676 from stanmoore1/kokkos_reverse_comm | Oct 6 2017 | ||||
| bd17ee5df74a | Steve Plimpton/GitHub | Merge pull request #675 from wesbarnett/master | Oct 6 2017 | ||||
| a9b7ff1154d3 | Steve Plimpton/GitHub | Merge pull request #679 from stanmoore1/kk_reax_comm | Oct 6 2017 | ||||
| 0dd7ba26c080 | Steve Plimpton/GitHub | Merge pull request #672 from akohlmey/phana-w-tricubic | Oct 6 2017 | ||||
| 7a90eef527ed | Steve Plimpton/GitHub | Merge pull request #668 from ovilab/modify_deallocation_fix | Oct 6 2017 | ||||
| 5d0626e50e30 | Steve Plimpton/GitHub | Merge pull request #665 from akohlmey/collected-small-fixes | Oct 6 2017 | ||||
| 4b7ca0383aac | Steve Plimpton/GitHub | Merge pull request #664 from timattox/kokkos_atom2bin | Oct 6 2017 | ||||
| 0ed987dc6186 | Steve Plimpton/GitHub | Merge pull request #663 from jdevemy/master | Oct 6 2017 | ||||
| 55a3fdca8065 | Steve Plimpton/GitHub | Merge pull request #660 from junghans/latte_fix | Oct 6 2017 | ||||
| 214c0cfb2b7e | Steve Plimpton | add atom_modify map yes, also timers to create_atoms and replicate | Oct 6 2017 | ||||
| e0efdd50fab3 | Stan Moore | Switch to classic comm if ghost_velocity. The check_forward and check_reverse… | Oct 5 2017 | ||||
| 44d2e8ff74d5 | Stan Moore | Add pre_reverse to verlet_kokkos and comment out timer | Oct 5 2017 | ||||
| 6bf2c60c07ed | Stan Moore | Fix issues in Kokkos comm | Oct 5 2017 | ||||
| eecd2fbaee77 | Stan Moore | Remove hardcoded value in fix_qeq_reax | Oct 5 2017 | ||||
| 2b0bfcb10f90 | Stan Moore | Fix memory leak in pair_reaxc_kokkos | Oct 5 2017 | ||||
| 3653f4012013 | Stan Moore | Reduce unnecessary communication in fix_qeq_reax | Oct 4 2017 | ||||
| bda0ee3aa1eb | Stan Moore | Destroy unneeded fix in pair_reaxc_kokkos | Oct 4 2017 | ||||
| c522b1b7a974 | Axel Kohlmeyer | add call to fftw_cleanup() before exiting to avoid bogus leak reports when… | Oct 4 2017 | ||||
| a55adf4a6848 | Stan Moore | Update to Kokkos r2.04.04 and add workaround for performance regression | Oct 3 2017 | ||||
| 2876baafd07d | James Barnett | Use -restrict whenever Intel is used, no matter the package | Oct 3 2017 | ||||
| ca032f21fbfa | Stan Moore | Add Kokkos threaded reverse comm option | Oct 3 2017 | ||||
| 197f08278442 | James Barnett | cmake: Add -restrict for Intel compilers for some packages | Oct 3 2017 | ||||
| 9dc42fd4db71 | Michael Brown | intel_simd.h is currently also needed by dihedral/charmm, not just sw. | Oct 3 2017 | ||||
| 5e8926963126 | Michael Brown | Minor adjustments to intel makefiles and documentation based on the reversed… | Oct 3 2017 | ||||
| d2aa05cb3661 | Axel Kohlmeyer | update README in USER-INTEL for recent LRT logic reversal | Oct 3 2017 | ||||
| 466fde6443bf | Axel Kohlmeyer | update documentation for the reversal in the INTEL_MKL_RNG define | Oct 3 2017 | ||||
| 2a24cbfe0c2f | Axel Kohlmeyer | reverse logic for using MKL pRNG: this way, make serial and make mpi will… | Oct 3 2017 | ||||
| 8d384b9149c7 | Axel Kohlmeyer | whitespace cleanup | Oct 2 2017 | ||||
| 529eeb603923 | Stan Moore | Reduce GPU data transfer | Oct 2 2017 | ||||
| cf24dd026520 | Michael Brown | Adding pair style dpd/intel and dihedral style fourier/intel Adding raw… | Oct 2 2017 | ||||
| a7b0d1f521af | Lars Pastewka | DOC: Corrected syntax for appending at certain frame (NetCDF only) | Oct 1 2017 | ||||
| fbe42cda2d24 | Lars Pastewka | MAINT: Only set append flag when not in multifile mode. | Oct 1 2017 | ||||
| da7be99cc4a3 | Lars Pastewka | DOC: Added multi file example. | Oct 1 2017 | ||||
| 56d21bfb057b | Lars Pastewka | MAINT: Removed obsolete prmtop writer. | Oct 1 2017 | ||||
| 100231bba8f1 | Lars Pastewka | ENH: Enable multi file writes. | Oct 1 2017 | ||||
| 84378f8ae27f | Lars Pastewka | MAINT: Renamed _put_var1_x to _put_var1_bigint | Oct 1 2017 | ||||
| 6e342d2e45dc | Lars Pastewka | MAINT: bigint (int64) maps onto either long or long long, depending on platform. | Oct 1 2017 | ||||
| 091d0580904a | Richard Berger | Fix typo | Sep 30 2017 | ||||
| 4c71beb02409 | Axel Kohlmeyer | cleanup/simplification of compilation for fix phonon analysis tool "phana" | Sep 30 2017 | ||||
| a86572f4fcb4 | Stan Moore | Reduce memory churn in Kokkos package | Sep 30 2017 | ||||
| 9f2740b7f18f | Stan Moore | Partially revert 01d0a5c, avoid atomics, safe because of the while loop. Worst… | Sep 29 2017 | ||||
| d7aac2fed53c | Stan Moore | Add sync/modify to nbin_kokkos | Sep 29 2017 | ||||
| d898afaafb7a | Axel Kohlmeyer | use <> for system includes not "" | Sep 29 2017 | ||||
| 23e283f13551 | Anders Hafreager | Fixed proper deletion of fixes if fix is NULL | Sep 27 2017 | ||||
| de45fa6e7107 | Axel Kohlmeyer | correct bogus links in LATTE docs | Sep 27 2017 | ||||
| bfdc4acb8bbe | Axel Kohlmeyer | add missing entry for pdf version of manual | Sep 26 2017 | ||||
| fd3ecd048120 | Axel Kohlmeyer | fix typo in formatting | Sep 26 2017 | ||||
| 8bba6d3e8c63 | Axel Kohlmeyer | correct formatting and broken/colliding link issues with LATTE package related… | Sep 26 2017 | ||||
| 53e4ee4f2dc9 | Axel Kohlmeyer | need to re-init timers after initial setup | Sep 26 2017 | ||||
| b60cff7e7773 | Axel Kohlmeyer | USER-OMP package depends on USER-DRUDE | Sep 26 2017 | ||||
| 38530415c8f0 | Axel Kohlmeyer | -ltbbmalloc is required | Sep 26 2017 | ||||
| 0573aaa6da3a | Axel Kohlmeyer | update src/.gitignore for LATTE package | Sep 26 2017 | ||||
| e6969002ce55 | Axel Kohlmeyer | having plain filelink instead of filelink.o confuses KOKKOS linking with nvcc | Sep 26 2017 | ||||
| 836a6d292c10 | Axel Kohlmeyer | whitespace fixes, silence compiler warning about too few format specifiers | Sep 25 2017 | ||||
| 32e0de7a67a1 | Tim Mattox | first pass at implementing atom2bin for KOKKOS neighbor lists | Sep 25 2017 | ||||
| 789812ec3dce | Tim Mattox | KOKKOS: minor typo fix | Sep 25 2017 | ||||
| 78a486c0fdfe | Julien Devemy | Authorize hybrid/overlay for fix srp | Sep 25 2017 | ||||
| f2c1172741b5 | Steve Plimpton | patch 22Sep17 | Sep 22 2017 | ||||
| d6316c40d94e | Christoph Junghans | cmake: fix build with system latte | Sep 22 2017 | ||||
| bcde318ccb0f | Steve Plimpton/GitHub | Merge pull request #659 from stanmoore1/kk_border_comm | Sep 22 2017 | ||||
| 3ed39ca844ba | Stan Moore | Make Kokkos comm give warning and switch to classic comm instead of erroring out | Sep 22 2017 | ||||
| ee487ef4aa4f | Steve Plimpton/GitHub | Merge pull request #652 from junghans/latte | Sep 22 2017 | ||||
| a8ae8866676e | Steve Plimpton | update fix latte examples and virial | Sep 21 2017 | ||||
| 5e35ab251b23 | Christian Negre | fixed sucrose | Sep 21 2017 | ||||
| d708e34ba6d4 | Christoph Junghans | cmake: download/build latte if not found | Sep 20 2017 | ||||
| 638b91bf74c1 | Steve Plimpton/GitHub | Merge pull request #657 from lammps/snap-potentials | Sep 20 2017 | ||||
| ad25a9529758 | Axel Kohlmeyer | whitespace cleanup | Sep 20 2017 | ||||
| e7d042ba1a0e | Axel Kohlmeyer | convert DOS/Windows CR-LF line endings to native format | Sep 20 2017 | ||||
| dd49d54889a2 | Steve Plimpton | new SNAP potentials and examples | Sep 20 2017 | ||||
| fbaa7ab8fa55 | Steve Plimpton/GitHub | Merge pull request #655 from akohlmey/fixes-for-patch | Sep 20 2017 | ||||
| 2e9803efb31d | Steve Plimpton/GitHub | Merge pull request #645 from akohlmey/kokkos-makefile-updates | Sep 20 2017 | ||||
| 59d2e13d48fe | Axel Kohlmeyer | add .gitignore and add Makefile.lammps.* symlinks to stay consistent with other… | Sep 20 2017 | ||||
| 76d93f21dd9c | Steve Plimpton | add fix latte command to doc pages | Sep 20 2017 | ||||
| ac897ea6457c | Steve Plimpton | LATTE package doc update and some small code changes | Sep 20 2017 |
c4science · Help