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254 Commits

Author SHA1 Message Date
Trung Nguyen 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
Trung Nguyen 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
Trung Nguyen 265b6c261e Fixed bugs with lj/expand/coul/long and its gpu version 2018-06-15 23:38:37 -05:00
ndtrung a4a3133b76 Switched to standard C++ header files for consistency with other source files 2018-06-01 23:13:49 -05:00
Trung Nguyen 341fa160fe Updated UCL_Device built with OpenCL to use platforms that support accelerators by default 2018-05-23 16:11:55 -05:00
Trung Nguyen 2f9e6d4566 Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole/long/gpu 2018-05-21 23:32:25 -05:00
Trung Nguyen 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
Axel Kohlmeyer fccc16f42c tune OpenCL for generic architecture by default 2018-05-08 00:50:23 -04:00
Axel Kohlmeyer e7e1827e57 remove variable length arrays in gpu lib 2018-05-08 00:48:53 -04:00
Axel Kohlmeyer 3394d18a2a convert gpu lib to use c++-style include files 2018-05-08 00:25:10 -04:00
Axel Kohlmeyer 776f588746 add support for UFM pair style support to OpenCL compilation makefile 2018-02-12 18:43:30 +01:00
Steve Plimpton 4af14becb5
Merge pull request #710 from rpleite/add-pair-ufm 
Add the UFM pair potential - (GPU/OPT/OMP)
 2018-02-02 14:38:28 -07:00
Axel Kohlmeyer b34000a5e1 make *_gpu_reinit() functions consistent in returning void. correct prototypes in src/GPU, too. 
this supersedes and closes #719
 2017-11-04 02:49:22 -04:00
Rodolfo Leite 941ee565a1 Added lal_ufm_ext.cpp in lib/gpu 2017-10-24 11:12:51 -02:00
Rodolfo Leite b63acf6843 Added the UFM files (doc/src - lib/gpu - src) 2017-10-24 11:11:10 -02:00
Axel Kohlmeyer be96486d66 compile all objects in the GPU library with -fPIC for building shared object 2017-09-19 11:24:48 -04:00
Axel Kohlmeyer 48dd824b26 ignore generated header files with OpenCL kernels 2017-09-19 11:24:38 -04:00
Steve Plimpton f971cd6e45 Merge pull request #647 from rbberger/gpu_opencl_2 
Use OpenCL 2.x API in GPU package when supported
 2017-09-12 10:56:13 -06:00
Richard Berger 84b84c10db Use OpenCL 2.x API in GPU package when supported 2017-09-09 19:53:56 -04:00
Anders Hafreager dbc60d949f Fixed OpenCL compilation issues with __global keywords 2017-09-06 15:08:02 +02:00
Axel Kohlmeyer e88ff8d6f9 correct embedded help for GPU lib Install.py 2017-08-23 15:20:30 -04:00
Steve Plimpton 00aafef1a8 Merge pull request #597 from ndtrung81/three-body-short-nlist 
Implementing short neighbor lists for three-body gpu styles
 2017-08-17 11:31:59 -06:00
Axel Kohlmeyer 6d24be8bb7 whitespace cleanup 2017-08-10 21:14:40 -04:00
Axel Kohlmeyer 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
Trung Nguyen aa60ef6ed8 Cleaned up 3-body kernels, reverted some mistaken changes to vashishta 2017-07-23 00:08:55 -05:00
Trung Nguyen 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
Trung Nguyen 3d1d0c58c7 Cleaned up 3-body gpu styles, and fixed a bug for tersoff/zbl/gpu. 
There is a unresolved bug for neigh no with tpa > 1 with BaseThree, enforce tpa = 1 for neigh no in BaseThree for now.
 2017-07-21 12:08:04 -05:00
Steve Plimpton 296e572e69 better Install.py script for KIM from Ryan Elliott 2017-07-14 16:25:16 -06:00
Trung Nguyen cdac5f496c Built 3-body short neighbor list for the 3-body kernels using per-pair cutoffs for vashishta gpu style 2017-07-11 00:13:56 -05:00
Trung Nguyen 8c9db3ea00 Built 2-body short neighbor list and used for 2-body kernels in tersoff gpu styles 2017-07-10 23:50:21 -05:00
Trung Nguyen ea2b01e83b Refactored 3-body gpu styles to remove code duplication 2017-07-08 20:17:31 -05:00
Trung Nguyen 34fe2273f6 Added short neighbor list implementation for tersoff/zbl/gpu and tersoff/mod/gpu 2017-07-08 14:59:48 -05:00
Trung Nguyen 77c60189b8 Minor cleanups for tersoff/gpu 2017-07-08 14:43:53 -05:00
Trung Nguyen 1c6533e53d Working on short neighbor list for tersoff/gpu 2017-07-08 14:15:26 -05:00
Trung Nguyen 68206079da Supported short neighbor lists for 3-body kernels in sw/gpu and vashishta/gpu 2017-07-07 16:47:24 -05:00
Anders Hafreager d7646aeeed Fixed opencl error 2017-06-14 12:03:47 +02:00
Anders Hafreager 5f9341813d Removed debug output 2017-06-14 10:57:54 +02:00
Anders Hafreager 8441307185 Removed non-general CUDA-dir in makefile 2017-06-14 10:28:46 +02:00
Anders Hafreager 720af5c360 Added vashishta to OpenCL makefile 2017-06-14 10:27:52 +02:00
Anders Hafreager eeff0b8633 Added vashishta GPU package for NVidia 2017-06-14 10:24:16 +02:00
Steve Plimpton addd87c0f7 new Section package and start doc pages and build scripts 2017-05-04 11:22:20 -06:00
Axel Kohlmeyer b8cb80b219 rename files in GPU library from cg_cmm to lj_sdk 2017-04-26 19:46:10 -04:00
Axel Kohlmeyer cd435c0c58 change references from cg_cmm to lj_sdk and from cmm to sdk 2017-04-26 19:44:25 -04:00
Axel Kohlmeyer c8cfd53c1b adjust makefiles in lib tree, so they don't return an error exit code on "make clean" targets. 
(cherry picked from commit 4117218ca3)
 2016-09-06 21:28:55 -04:00
Steve Plimpton abc5a32c8a gpu lib sync 2016-08-23 15:30:01 -06:00
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sjplimp 79e1087146 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7021 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-30 16:58:31 +00:00
sjplimp 541c47f4d4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6766 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-23 21:12:16 +00:00
sjplimp 7a1f6fc1ee git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6765 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-23 21:11:35 +00:00
sjplimp d22491de17 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6729 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-18 17:32:34 +00:00
sjplimp 84b5b0bef8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6727 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-18 17:32:05 +00:00
sjplimp 3c1cefdba0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6625 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-08 19:51:22 +00:00
sjplimp 945343265e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6407 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-14 13:34:06 +00:00
sjplimp 9418bacff7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6406 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-14 13:33:48 +00:00
sjplimp 479275be1d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6405 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-14 13:32:50 +00:00
sjplimp 98ccbe3e69 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6340 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-08 20:24:29 +00:00
sjplimp 14a348470c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6136 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-18 20:03:24 +00:00
sjplimp 02ed350cf6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6079 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-08 02:00:08 +00:00
sjplimp c91cf5f623 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6070 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-04 16:27:18 +00:00
sjplimp bf6bb59386 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6069 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-04 16:24:42 +00:00
sjplimp 5f799182b3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6053 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-02 15:02:52 +00:00
sjplimp 3480e40e5f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5906 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-07 16:07:43 +00:00
sjplimp 353439c414 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5546 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-14 15:14:19 +00:00
sjplimp a499b28469 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5545 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-12 21:41:35 +00:00
sjplimp 2228473d03 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5538 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-12 15:25:39 +00:00
sjplimp 8f2257ecbf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5537 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-12 15:24:04 +00:00
pscrozi 4366bfffd3 Getting rid of extra CR characters at ends of lines. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-11-23 19:52:03 +00:00
pscrozi 5a82c99485 Changes from Mike Brown. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5277 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-11-23 00:40:35 +00:00
sjplimp 7900602be9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4065 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-04-28 21:43:36 +00:00
pscrozi 1c9ce032a4 Memory leak bug fix. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3908 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-03-18 23:15:19 +00:00
pscrozi c0e0b65619 Adding changes from Mike Brown. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3883 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-03-04 22:35:29 +00:00
pscrozi 71ed5c03ec Improvements in lib/gpu 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3804 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-02-11 20:46:34 +00:00
pscrozi 4ae4792b00 Updating lib/gpu to version 2. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3785 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-02-04 21:33:18 +00:00
sjplimp 12c3a43919 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3406 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-16 21:42:57 +00:00
sjplimp e7d5e47e27 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3215 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-10-12 15:35:28 +00:00
sjplimp b2f19b6560 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3145 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-09-04 15:03:44 +00:00
sjplimp ea26344b52 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3059 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-13 16:58:35 +00:00
sjplimp 5c4b5a82aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3056 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-13 16:05:41 +00:00