eda79bd1c2
use shutil.rmtree() instead of calling 'rm -rf' for increased portability
2018-11-28 20:46:50 -05:00
f254b8e3a3
Merge pull request #1226 from akohlmey/cmake-gpu-enhancements
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Enhancements for using CMake with the GPU package, improved compatibility with cmake 3.x versions, improved handling of shared library building.
2018-11-27 16:05:47 -05:00
5df2f92651
minor cleanup in lib/gpu
2018-11-26 18:22:33 -05:00
e0ff230268
remove comment-in-comment
2018-11-26 17:03:48 -05:00
ccacf0d4bb
Merge pull request #1048 from lammps/doc-reorg-start
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Documentation Refactoring: Section Start
2018-08-15 15:25:17 -06:00
9c3748e07c
change Python.txt to Python_head.txt, adapt GPU package syntax
2018-08-15 07:31:31 -06:00
7ec52784cb
more changes to doc pages and CMakeLists.txt
2018-08-14 15:44:25 -06:00
65d11171c4
Replace functions which were deprecated since CUDA 5
2018-08-09 03:36:21 -04:00
6d60075d3b
GPU Package: Use __shfl_xor_sync starting with CUDA 9
2018-08-09 02:33:35 -04:00
ac7aeb6862
Add extra check for OpenCL timers
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Fixes issue #1034 by preventing time() to access non-existent OpenCL events
2018-08-07 21:43:59 -04:00
923ae041dc
(temporary) workaround for memory leaks with OpenCL and MPI for upcoming stable release
2018-07-23 15:52:42 -04:00
644888d03c
Fixed bugs with time_q and time_quat not calling start() and stop() when _charge and/or _rot in Atom are true for OpenCL builds
2018-07-22 15:12:45 -05:00
b612c7ee75
Fixed a copy-paste bug in lal_neighbor.cpp for neigh no
2018-07-22 13:15:01 -05:00
d71e037c23
Renamed dev_acc to dev_ilist for better description and updated the 3-body styles accordingly; also fixed bugs with accessing dev_packed from the three_end kernel of tersoff/mod and tersoff/zbl gpu styles for OpenCL builds
2018-07-22 11:27:14 -05:00
94da4be922
Fixed bugs for tersoff gpu styles for OpenCL builds
2018-07-21 13:50:10 -05:00
01c27194d4
Fixes for lal_neighbor.cpp for get_host() and for time_kernel
2018-07-21 00:18:30 -05:00
223de57401
Added set_platform_accelerator() for nvd_device.h for OpenCL compatibility
2018-07-21 00:14:31 -05:00
884e72a4ba
Merge pull request #1008 from akohlmey/support-platform-select
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OpenCL related fixes and improvements to the GPU package
2018-07-20 14:32:49 -06:00
de8176b4fc
various minor OpenCL related fixes and improvements to the GPU package
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- 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
2018-07-20 14:41:54 -04:00
2eb8d779e8
Fixes a memory leak when using OpenCL
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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
2018-07-18 18:54:57 -04:00
ad4f61a5ce
update fatbin makefile for libgpu.a to latest additions
2018-07-10 09:07:54 -04:00
28504e91c0
Added missing source files for born/coul/wolf/cs in the gpu library
2018-06-20 15:08:24 -05:00
a9b794b2ab
Updates to the core-shell gpu pair styles
2018-06-20 10:43:13 -05:00
3ae8fdccd8
Updated the kernels for born/coul/long/cs and coul/long/cs gpu styles
2018-06-19 16:22:00 -05:00
70a7b37614
Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds to support core-shell styles where r2 can be tiny.
2018-06-19 15:50:02 -05:00
6842a527e0
Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests
2018-06-18 00:15:28 -05:00
265b6c261e
Fixed bugs with lj/expand/coul/long and its gpu version
2018-06-15 23:38:37 -05:00
a4a3133b76
Switched to standard C++ header files for consistency with other source files
2018-06-01 23:13:49 -05:00
341fa160fe
Updated UCL_Device built with OpenCL to use platforms that support accelerators by default
2018-05-23 16:11:55 -05:00
2f9e6d4566
Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole/long/gpu
2018-05-21 23:32:25 -05:00
838a1938bb
Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch
2018-05-20 17:03:12 -05:00
fccc16f42c
tune OpenCL for generic architecture by default
2018-05-08 00:50:23 -04:00
e7e1827e57
remove variable length arrays in gpu lib
2018-05-08 00:48:53 -04:00
3394d18a2a
convert gpu lib to use c++-style include files
2018-05-08 00:25:10 -04:00
776f588746
add support for UFM pair style support to OpenCL compilation makefile
2018-02-12 18:43:30 +01:00
4af14becb5
Merge pull request #710 from rpleite/add-pair-ufm
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Add the UFM pair potential - (GPU/OPT/OMP)
2018-02-02 14:38:28 -07:00
b34000a5e1
make *_gpu_reinit() functions consistent in returning void. correct prototypes in src/GPU, too.
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this supersedes and closes #719
2017-11-04 02:49:22 -04:00
941ee565a1
Added lal_ufm_ext.cpp in lib/gpu
2017-10-24 11:12:51 -02:00
b63acf6843
Added the UFM files (doc/src - lib/gpu - src)
2017-10-24 11:11:10 -02:00
be96486d66
compile all objects in the GPU library with -fPIC for building shared object
2017-09-19 11:24:48 -04:00
48dd824b26
ignore generated header files with OpenCL kernels
2017-09-19 11:24:38 -04:00
f971cd6e45
Merge pull request #647 from rbberger/gpu_opencl_2
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Use OpenCL 2.x API in GPU package when supported
2017-09-12 10:56:13 -06:00
84b84c10db
Use OpenCL 2.x API in GPU package when supported
2017-09-09 19:53:56 -04:00
dbc60d949f
Fixed OpenCL compilation issues with __global keywords
2017-09-06 15:08:02 +02:00
e88ff8d6f9
correct embedded help for GPU lib Install.py
2017-08-23 15:20:30 -04:00
00aafef1a8
Merge pull request #597 from ndtrung81/three-body-short-nlist
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Implementing short neighbor lists for three-body gpu styles
2017-08-17 11:31:59 -06:00
6d24be8bb7
whitespace cleanup
2017-08-10 21:14:40 -04:00
30431d4edb
rework Install.py for gpu library. make it consistent with other lib folders and support python3
2017-08-08 16:57:27 -04:00
aa60ef6ed8
Cleaned up 3-body kernels, reverted some mistaken changes to vashishta
2017-07-23 00:08:55 -05:00
a71f5a0c20
Enabled again neigh no with tpa > 1 for 3-body gpu styles for backward compatibility, could be slower than neigh no tpa 1 in many cases
2017-07-22 22:57:37 -05:00
