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675c2d38a3
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Flipped sign of forces and virial terms in the hippo kernels
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2022-07-05 14:37:26 -05:00 |
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5dab809522
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Flipped force sign in polar_real, made sure that multipole_real is true for precompute() to be invoked, ubdirect2b() is segfault and needs work
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2022-07-04 01:38:22 -05:00 |
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f4900d131a
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Working on the multipole term on the gpu side, incorrect virials
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2022-07-01 16:26:25 -05:00 |
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a14f0cfd6c
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Merge branch 'amoeba' into amoeba-gpu, update the gpu pair styles with the base class
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2022-06-28 12:54:27 -05:00 |
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59dc63d003
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Add typecasting for consts in tip4p GPU kernels
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2022-06-01 01:29:18 +03:00 |
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4b2509beed
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Merge branch 'develop' into tip4p_bug
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2022-05-30 18:54:28 +03:00 |
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e9051620a5
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Cleanup
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2022-05-28 00:39:07 +03:00 |
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d8f8a3a36a
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Handle inconsistent J molecules in tip4p/gpu
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2022-05-28 00:24:24 +03:00 |
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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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f09556018b
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fix bugs reported by @jibril-b-coulibaly
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2022-04-28 14:47:53 -04:00 |
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531e553162
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Merge branch 'amoeba' into amoeba-gpu
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2022-04-22 16:10:24 -05:00 |
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bd6d7b9136
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clarify CUDA versus OpenCL build and runtime restrictions
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2022-04-13 14:24:43 -04:00 |
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f3363070e7
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remove support for CUDA toolkits before version 8 and GPUs older than Kepler
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2022-04-12 15:48:16 -04:00 |
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b36262cd11
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cosmetic
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2022-04-10 20:47:42 -04:00 |
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d6f7570d57
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avoid redundant use of boolean literals
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2022-04-10 20:47:31 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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77565add6e
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Add C++14 to Makefile build system
Change-Id: I24f72b4aaca93a49877775c3d181507c83cd7f82
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2022-04-07 17:54:20 -04:00 |
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537e3f2539
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silence compiler warnings
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2022-02-17 23:13:13 -05:00 |
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5f47ff770c
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Merge pull request #3127 from akohlmey/gpu-opencl-updates
Update compiling OpenCL loader lib
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2022-02-14 16:10:53 -05:00 |
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83beffbb9f
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whitespace
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2022-02-13 17:08:18 -05:00 |
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193dea6327
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Updated the comment to be precise on the case
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2022-02-13 14:51:00 -06:00 |
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159f107abd
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Corrected the added comment
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2022-02-13 11:16:01 -06:00 |
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bae4e45978
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Added a comment to the added check while looping over the neighbors of ghost atoms
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2022-02-13 09:17:05 -06:00 |
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55a500cf8a
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Fixed bugs with in the kernel sw_three_end kernel
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2022-02-13 00:42:26 -06:00 |
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a17bdf5652
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silence compiler warnings and avoid infinite recursion in aspherical pair styles
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2022-02-11 21:06:16 -05:00 |
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7e92809288
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Merge pull request #3069 from Vsevak/fix-hip-ffast-math
Fix HIP Makefile under lib/gpu
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2022-01-03 11:37:55 -05:00 |
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14e5474174
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restore obsolete compilation settings similar to parallel makefile
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2021-12-27 20:31:42 -05:00 |
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b781410f92
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Delete fast-math flag from Makefile.hip for AMD platforms
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2021-12-28 03:11:02 +03:00 |
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5594a38bb7
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replace explicit Makefile.mpi with symbolic link
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2021-12-27 10:47:23 -05:00 |
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6357f19260
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Added back Makefile.mpi in lib/gpu/ to be consistent with documentation; updated Makefile.*; and removed the unnecessary Makefile.turing
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2021-12-27 00:14:04 -06:00 |
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ede188652b
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update a few GPU kernels so they can be compiled on GPUs without double precisions support
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2021-10-21 07:33:00 -04:00 |
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87b63f768f
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Only check for GPU double precision support if a GPU is present
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2021-10-18 12:15:05 -04:00 |
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e990a1cf61
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remove ambiguity between "double_precision" class member variable and function
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2021-10-16 21:07:04 -04:00 |
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afad3f42d5
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Report only compatible GPU, i.e. no GPU if mixed/double precision is requested by the hardware does not support it
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2021-10-13 21:15:16 -04:00 |
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dd6e3c1acc
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avoid variable length array and signed vs. unsigned warnings
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2021-10-08 20:07:20 -04:00 |
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79fbbd4f33
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Cleaned up the API of amoeba and hippo to remove unncessary arguments
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2021-10-04 14:40:58 -05:00 |
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0f0f6a51de
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Renamed sp_polar to sp_amoeba, and replaced special_wscale with special_hal for amoeba
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2021-10-02 16:02:44 -05:00 |
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5a6426bf96
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Only transfer data arrays that are needed in each kernel
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2021-10-02 00:56:15 -05:00 |
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f4d3d3a2b5
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Gradually cleaned up and removed redundancy in amoeba and hippo
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2021-10-02 00:09:53 -05:00 |
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f126f785a4
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Removed duplicates in the amoeba kernels
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2021-10-01 10:19:17 -05:00 |
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3328ac0df2
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Attempted to remove some redundancy in data transfers in the amoeba kernels; keeping HIPPO independent of AMOEBA for now
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2021-10-01 09:58:21 -05:00 |
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ad9d45639e
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Fixed bugs with damprep where ucl_powr in mixed precision failed with a negative single-reprecision base
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2021-09-29 12:32:08 -05:00 |
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01381b7f54
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Fixed bugs in the repulsion kernel, now working correctly with the double precision mode
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2021-09-29 11:57:25 -05:00 |
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4be44c386f
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Added necessary arguments to the hippo repulsion kernel
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2021-09-29 09:40:33 -05:00 |
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17edd797a7
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Adding API for the repulsion term to hippo/gpu
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2021-09-28 23:42:04 -05:00 |
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b95508125b
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Adding the repulsion kernel for hippo
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2021-09-28 23:24:34 -05:00 |
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6286a119b3
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Removed precompute() in hippo
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2021-09-28 23:12:07 -05:00 |
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98a2b67292
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Changed to the API of BaseAmoeba to reduce duplicates in hippo
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2021-09-28 17:39:55 -05:00 |
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b874feb127
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Removed trailing spaces
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2021-09-28 17:28:33 -05:00 |
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bf88ab77fa
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Cleaned up unused variables in kernel (to be continued)
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2021-09-28 15:06:30 -05:00 |
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