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History Graph
Commit | Author | Details | Committed | ||||
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ac64183ecfdd | Tim Mattox | USER-DPD Kokkos: WIP on preflighting SSA neighbor list build, with debugging | Apr 1 2017 | ||||
7041f75fcefa | Stan Moore/GitHub | Merge pull request #20 from ibaned/dpd-memleaks | Mar 28 2017 | ||||
20ae05055dbb | Dan Ibanez | fix memory leak via NeighListKokkos::clean_copy() | Mar 28 2017 | ||||
661bd37e15bc | Tim Mattox | Make read_restart evenly divide the work of reading when using mpiio. Currently… | Mar 27 2017 | ||||
0463923e330b | Tim Mattox | USER-DPD Kokkos: tighten up the SSA data allocation to what is needed. A future… | Mar 27 2017 | ||||
28784a4ce2de | Tim Mattox | Now with the correct math, make read_restart properly size the atom_vec_* data | Mar 27 2017 | ||||
5f0823172c4a | Tim Mattox | Make read_restart properly size the atom_vec_* data when reading via mpiio | Mar 27 2017 | ||||
b418b46a03ac | Tim Mattox | USER-DPD: bugfix for an array that changed length in the non-kokkos version. | Mar 27 2017 | ||||
3c91f9734dbb | Tim Mattox | make RK solver check in fix_rx_kokkos.cpp be as lenient as in fix_rx.cpp NOTE… | Mar 21 2017 | ||||
4ad1c82fcf1e | Tim Mattox | Merge branch 'USER-DPD_GBhacks' into USER-DPD_GBhacks_cps | Mar 20 2017 | ||||
ce94d7a4dfac | Stan Moore | Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks | Mar 20 2017 | ||||
2c93065786a1 | Stan Moore | Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos | Mar 20 2017 | ||||
d496c0fdfa9f | sjplimp/GitHub | Merge pull request #426 from dstelter92/master | Mar 20 2017 | ||||
5c39dfd74089 | dstelter92 | re-ran example with fixed exchanges | Mar 20 2017 | ||||
5b842f0010a7 | dstelter92 | Teff and exchange bugfix, as per Greg Dignon to match python examples | Mar 20 2017 | ||||
20de98e898f0 | Tim Mattox | Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks, bring in bugfix | Mar 20 2017 | ||||
a68f3a93e53a | Tim Mattox | USER-DPD Kokkos: bugfix, add a misisng line of code in pair_exp6_rx_kokkos.cpp | Mar 20 2017 | ||||
b3c46b7269db | Tim Mattox | Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks, bugfix for bonds | Mar 18 2017 | ||||
fff43a4604a2 | Tim Mattox | USER-DPD Kokkos: bugfix for npair_ssa_kokkos.cpp corresponding to 0cd3f0cd | Mar 18 2017 | ||||
0cd3f0cd63f2 | Tim Mattox | USER-DPD: bugfix for npair_half_bin_newton_ssa when bonds are involved. Only… | Mar 18 2017 | ||||
75670244bb5d | Christopher P. Stone | Added ONE-TYPE template capability to vectorized_operator and cleaned up timers. | Mar 17 2017 | ||||
64fdb1f528bc | Christopher P. Stone | Kokkos/pair_exp6_rx_kokkos optimized for SIMD on the inner j-loop. | Mar 17 2017 | ||||
eb1a4d11ddf4 | Tim Mattox | Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks, as of patch 17March17 | Mar 17 2017 | ||||
1c749d5cf590 | Stan Moore | Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos | Mar 17 2017 | ||||
4a90bca7a3b4 | Steve Plimpton | patch 17Mar17 | Mar 17 2017 | ||||
9f35b764f8cc | sjplimp/GitHub | Merge pull request #424 from timattox/dpd_restart_fix | Mar 17 2017 | ||||
7ca5dce2f56c | sjplimp/GitHub | Merge pull request #423 from timattox/master_bugfix_irregular | Mar 17 2017 | ||||
fcc3b3bd365d | sjplimp/GitHub | Merge pull request #421 from akohlmey/memory-output | Mar 17 2017 | ||||
53a3877c3d3e | sjplimp/GitHub | Merge pull request #420 from rbberger/doc_anchor_check | Mar 17 2017 | ||||
a936b7b2ab27 | sjplimp/GitHub | Merge pull request #419 from rbberger/python_fixes | Mar 17 2017 | ||||
a91b851f3d40 | sjplimp/GitHub | Merge pull request #416 from lukin17/filter_corotate | Mar 17 2017 | ||||
d31c591b60f7 | Stan Moore | Remove unneeded restart_peratom flags | Mar 17 2017 | ||||
ae5ebf600189 | Axel Kohlmeyer | add support for MPI_Request_free() to MPI STUBS library | Mar 17 2017 | ||||
7fb741d53da8 | Axel Kohlmeyer | Revert "In irregular.cpp use simpler and slightly faster… | Mar 17 2017 | ||||
a719f41426e0 | Christopher P. Stone | Merge remote-tracking branch 'thunder/USER-DPD_kokkos_gb_test' into USER… | Mar 17 2017 | ||||
ba069fb755a4 | Christopher P. Stone | Merge remote-tracking branch 'thunder/USER-DPD_GBhacks' into USER… | Mar 17 2017 | ||||
4a7bc115cbbd | Tim Mattox | Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks, bring in MPI deadlock fix | Mar 17 2017 | ||||
5ea096d08cdc | Tim Mattox | Merge branch 'master_bugfix_irregular' into USER-DPD_kokkos | Mar 17 2017 | ||||
8e75616c144d | Tim Mattox | In irregular.cpp use simpler and slightly faster MPI_Reduce_scatter_block() | Mar 17 2017 | ||||
411c069ba66f | Tim Mattox | BUGFIX: Prevent possible deadlock in Irregular::create_atom and create_data | Mar 17 2017 | ||||
ac82d041cc44 | Axel Kohlmeyer | ignore package pair style | Mar 17 2017 | ||||
621d7d5ce0f2 | Richard Berger | Correct off-by-one error in line number reported | Mar 17 2017 | ||||
1bb9c7da42e5 | Richard Berger | Remove some duplicate anchors in documentation | Mar 17 2017 | ||||
ec192a95cb14 | Christopher P. Stone | Cleaned up the non-kokkos part of KOKKOS/pair_exp6_rx_kokkos.cpp | Mar 17 2017 | ||||
f893104b18d1 | Richard Berger | Add anchor_check to doc Makefile | Mar 17 2017 | ||||
efb2a942e046 | Richard Berger | Add utility to detect duplicate anchors in documentation files | Mar 17 2017 | ||||
f5b7361ef6b6 | Christopher P. Stone | Non-kokkos candidate of PairExp6rxKokkos::getMixingWeights to improve… | Mar 17 2017 | ||||
070ce33a13df | Axel Kohlmeyer | improve memory usage reporting in info and output class | Mar 16 2017 | ||||
f604f86cfcd4 | Axel Kohlmeyer | add fix filter/corotate to some administrative files | Mar 16 2017 | ||||
bed288339e74 | Axel Kohlmeyer | simplify and shorten examples for fix filter/corotate and combine into a single… | Mar 16 2017 | ||||
1995f434f3d3 | Axel Kohlmeyer | fix some more code formatting issues, add newline at EOF | Mar 16 2017 | ||||
db0281b4df0b | Axel Kohlmeyer | Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull… | Mar 16 2017 | ||||
acdb932c4ec5 | Stan Moore | Fixing index issue in pair_exp6_rx_kokkos | Mar 16 2017 | ||||
2f5e711acd82 | lukin17 | Merge remote-tracking branch 'upstream/master' into filter_corotate | Mar 16 2017 | ||||
bdb7669e2742 | lukin17 | Fixed coding style. | Mar 16 2017 | ||||
cda821389250 | Richard Berger | Added Python matplotlib plot example | Mar 16 2017 | ||||
ef940d226c33 | Richard Berger | Improve Python 3 compatibility of pizza tools and simplify read_snapshot code | Mar 16 2017 | ||||
36da9223ec43 | Richard Berger | Fix dump cfg in vizplotgui_atomeye.py example | Mar 16 2017 | ||||
eb29ef32b1b9 | Richard Berger | Fix space/tab error in pizza/gl.py | Mar 16 2017 | ||||
29550d472d23 | Richard Berger | Fix dump cfg in viz_atomeye.py example | Mar 16 2017 | ||||
79cae51156ad | Richard Berger | Document property 'uses_exceptions' of Python interface | Mar 16 2017 | ||||
a210867025e1 | Richard Berger | Fixes lammps_create_atoms library function and its Python interface variant | Mar 16 2017 | ||||
0262a54ecfeb | Richard Berger | Fix Python 3 compatibility by encoding strings passed as c_char_p | Mar 16 2017 | ||||
ce9b3f4fcb7f | Tim Mattox | Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks | Mar 16 2017 | ||||
0d8f74f0c52e | Axel Kohlmeyer | Merge branch 'filter_corotate' of https://github.com/lukin17/lammps into pull… | Mar 15 2017 | ||||
7ebed717de98 | Stan Moore | Adding gb_test | Mar 15 2017 | ||||
bdee2fa23401 | Stan Moore | Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos | Mar 15 2017 | ||||
3a2da51a8210 | sjplimp/GitHub | Merge pull request #413 from ohenrich/user-cgdna | Mar 15 2017 | ||||
b1c59126f750 | sjplimp/GitHub | Merge pull request #415 from stanmoore1/kk_qeq | Mar 15 2017 | ||||
4c77838514d1 | sjplimp/GitHub | Merge pull request #414 from sstrong99/flow-gauss-doc-addition | Mar 15 2017 | ||||
f9468f46f577 | sjplimp/GitHub | Merge pull request #412 from timattox/master_typofix | Mar 15 2017 | ||||
bd7f4143e292 | Stan Moore/GitHub | Merge pull request #18 from ibaned/pair-table-rx-kokkos-slow | Mar 15 2017 | ||||
f4a08ba4fcae | Dan Ibanez | pass Views by reference for pair_table_rx_kokkos | Mar 15 2017 | ||||
c3ce3747e049 | lukin17 | Added fix filter/corotate. | Mar 15 2017 | ||||
fdc390ad0548 | Stan Moore | Tweaking docs for Kokkos package | Mar 14 2017 | ||||
5925460a275f | Tim Mattox | Improve the performance of read_data of gzip'ed files using taskset. Normally… | Mar 14 2017 | ||||
580f6b567b12 | Stan Moore | Add neigh/qeq option to Kokkos | Mar 14 2017 | ||||
27b1c33a1680 | Steven Strong | updated the NEMD discussion in the how-to documentation about flow/gauss | Mar 14 2017 | ||||
7a75cd111c3d | Oliver Henrich | Minor updates in documentation and setup tool, merge before upgrade to oxDNA2 | Mar 14 2017 | ||||
23b828793333 | Oliver Henrich | Updated documentation and simple setup tool | Mar 14 2017 | ||||
d2cbfef13bac | Stan Moore | Add CUDA support to atom_vec_hybrid_kokkos | Mar 13 2017 | ||||
4b4bc7dc3bd1 | Tim Mattox | USER-DPD: specialize PairTableRXKokkos's compute_all_items() on NEWTON_PAIR No… | Mar 13 2017 | ||||
d5eceebf3283 | Tim Mattox | USER-DPD Kokkos: add support for full neighbor lists. Note: "newton on" still… | Mar 13 2017 | ||||
b1b377cb5947 | Tim Mattox | USER-DPD: fix_shardlow's neighbor request needs "newton on" override. Even if… | Mar 12 2017 | ||||
e908b8dbea02 | Tim Mattox | USER-DPD Kokkos: correct some error messages | Mar 12 2017 | ||||
d6f6c6faf1ec | Tim Mattox | USER-DPD: Make newton-off warning in pair_dpd_fdt* be more selective. If using… | Mar 12 2017 | ||||
17c8e695a422 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos as of patch 10 Mar 2017 | Mar 11 2017 | ||||
4cfe623bc17d | Tim Mattox | Correct a typo in the fix_halt.txt documentation. | Mar 11 2017 | ||||
f871ecdc67db | Steve Plimpton | change to RCB cuts in load-balancing commands, also a new option for fix halt | Mar 10 2017 | ||||
470353e32080 | sjplimp/GitHub | Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10 | Mar 10 2017 | ||||
ffe02d20ca83 | sjplimp/GitHub | Merge pull request #406 from stanmoore1/kokkos_bugfix | Mar 10 2017 | ||||
c7eadfdefd7f | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos | Mar 10 2017 | ||||
f70752c18f8d | Giacomo Fiorin | Include PDF of Colvars doc missing in previous commit | Mar 10 2017 | ||||
07fcfd6d54a1 | sjplimp/GitHub | Merge pull request #405 from stanmoore1/ev_setup_kk | Mar 10 2017 | ||||
c97feafca6ac | sjplimp/GitHub | Merge pull request #407 from frobnitzem/master | Mar 10 2017 | ||||
b20d95d49548 | sjplimp/GitHub | Merge pull request #402 from timattox/USER-DPD_spelling | Mar 10 2017 | ||||
0b4adaa9e6a1 | Giacomo Fiorin | Backport typo fixes that were not previously pushed to the Colvars repository | Mar 10 2017 | ||||
5fe620663813 | Giacomo Fiorin | Update Colvars module to version 2017-03-10 | Mar 10 2017 | ||||
6f71275db30f | Stan Moore | Add Kokkos version of atom_vec_hybrid_kokkos, without CUDA support | Mar 9 2017 | ||||
65964f3b31ea | David M. Rogers | Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp | Mar 9 2017 |
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