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46b8b00a4f
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Working on fft on the device
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2022-08-15 15:51:43 -05:00 |
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538aa13693
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Only transfer data that is needed for umutual2b; allowed convolution and kspace term umutual1 to be overridden by the gpu counterparts
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2022-08-10 16:21:30 -05:00 |
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baf3e614fb
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Add comments for tip4p GPU kernels
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2022-08-07 22:26:11 +03:00 |
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aad4e417f9
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Moved temp variables inside neighbor loops
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2022-08-03 12:33:48 -05:00 |
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a54f0b684d
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Moved temp variables inside the loop over neighbors
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2022-08-03 10:56:52 -05:00 |
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5fee276348
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add some GNU Make magic(tm) to Makefile.hip to adapt itself to OpenMPI and MPICH
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2022-07-28 07:03:58 -04:00 |
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e7ffa7fae3
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Add Makefile support for CHIP-SPV
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2022-07-27 08:34:35 +00:00 |
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e973a4b31c
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workaround for CHIP-SPV different textrure func
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2022-07-26 16:19:11 +00:00 |
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b2cdc40919
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Enable CHIP-SPV support
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2022-07-26 16:00:43 +00:00 |
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93784f35e3
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Added ucl_erfc to the opencl, cuda and hip backends; reverted to using erfc instead of approximation to ensure double-precision matches
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2022-07-25 15:34:44 -05:00 |
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66ee2bf989
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Cleaned up
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2022-07-14 11:01:30 -05:00 |
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0c44bd1086
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Rearranged the order of real-space and kspace part of ufield0c(), delayed device-host transfer from umutual2b() to overlap with kspace part
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2022-07-08 14:45:31 -05:00 |
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fc741e0df6
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changed names of files, and added a lj12-5 function type.
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2022-07-08 17:28:50 +09:00 |
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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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