Merge branch 'master' into HEAD
Description
Description
Details
Details
- Committed
Christoph Junghans <junghans@votca.org> Oct 7 2017, 20:35 - Pushed
junge Oct 19 2017, 09:53 - Parents
- rLAMMPS11eed234f08a: include dump cfg/uef in commands toctree
rLAMMPS88a33edb5022: Merge pull request #680 from lammps/map-yes - Branches
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Merged Changes
Merged Changes
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 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 | |||
| 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 |
