- Jul 24, 2018
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Steven J. Plimpton authored
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- Jul 20, 2018
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Steve Plimpton authored
Discrete element models for the BODY package
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Steve Plimpton authored
OpenCL related fixes and improvements to the GPU package
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Steve Plimpton authored
Fixes a memory leak when using OpenCL
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Axel Kohlmeyer authored
- document previously undocumented OpenCL tune settings - implement OpenCL platform selection through prefixing the device type with the platform id separated by a colon - allow passing custom tune parameters though postfixing the device type with the 13 tuneable parameters separated by commas - remove an extra clear() that would delete device properties structs an cause LAMMPS to output garbage strings
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- Jul 19, 2018
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Steve Plimpton authored
USER-DPD: propagate a minor performance bugfix throughout the DPDE code
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- Jul 18, 2018
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Richard Berger authored
The GPU package uses OpenCL events for measuring time. These have to be released to free up memory. I removed the clReleaseEvent() calls in the clear() method because in some cases they don't exist yet and I couldn't find a way to check for a valid event (clRetainEvent didn't work). This at least fixes the massive leak during simulations. See issue #1006
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Axel Kohlmeyer authored
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Steven J. Plimpton authored
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Tim Mattox authored
The fix_shardlow_kokkos.cpp code had already factored out a redundant sqrt() calculation in the innermost loop of ssa_update_dpde(). This changeset propagates an equivilent optimization to: fix_shardlow.cpp pair_dpd_fdt_energy.cpp pair_dpd_fdt_energy_kokkos.cpp The alpha_ij variable was really just an [itype][jtype] lookup parameter, replacing a sqrt() and two multiplies per interacting particle pair by a cached memory read. Even if there isn't much time savings, the code is now consistent across the various versions.
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Steven J. Plimpton authored
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- Jul 17, 2018
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Trung Nguyen authored
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Trung Nguyen authored
+ added examples for special cases with disks and rods for 2d, and spheres and rods for 3d, + corrected the definition of the cutoff distance in pair style command
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Steven J. Plimpton authored
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- Jul 16, 2018
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Steve Plimpton authored
include support for 'extra/XXX/per/atom' info in restart files
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Steven J. Plimpton authored
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Axel Kohlmeyer authored
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Trung Nguyen authored
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Trung Nguyen authored
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Steve Plimpton authored
Allow 'set' command to change atom velocities
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Steve Plimpton authored
Fix rare crash in Kokkos ReaxFF on GPUs
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Steve Plimpton authored
docs: Fix sneaky unicode character
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Steve Plimpton authored
cmake/README.md: fix GPU_ARCH options
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Steve Plimpton authored
Port enforce2d kokkos
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- Jul 15, 2018
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Trung Nguyen authored
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- Jul 14, 2018
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Richard Berger authored
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Richard Berger authored
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- Jul 13, 2018
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Trung Nguyen authored
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Stan Moore authored
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Stan Moore authored
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- Jul 12, 2018
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HaoZeke authored
Fixes the `pdf` target of the `Makefile`.
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Trung Nguyen authored
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Christoph Junghans authored
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- Jul 11, 2018
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Steve Plimpton authored
2 small bug fixes to load balancing
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Steven J. Plimpton authored
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Steve Plimpton authored
better rRESPA doc page, also a new Makefile.theta
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Stan Moore authored
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Stan Moore authored
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Steven J. Plimpton authored
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Steve Plimpton authored
Collected small updates for the next patch release
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