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254 Commits

Author SHA1 Message Date
Axel Kohlmeyer 7e5e741ea1
update code for ufm/gpu to match changes in base class where uf4 is removed 2020-08-03 08:12:09 -04:00
Vsevak db47eeb2a9 Fix handling of CL_DEVICE_TYPE flags 2020-07-31 19:21:32 +03:00
Axel Kohlmeyer 29c50671da
Merge pull request #2254 from Vsevak/fix_opencl 
Fix corrupted character in GPU package
 2020-07-27 20:08:18 -04:00
Axel Kohlmeyer 2bb5c53a47
remove/replace extended ASCII characters from comments 2020-07-27 17:15:29 -04:00
Axel Kohlmeyer 634f274a04
whitespace cleanup: replace tabs and remove trailing whitespace 2020-07-27 17:14:53 -04:00
Vsevak 93f14e9bba Fix broken ASCII symbol in GPU package 2020-07-27 20:16:55 +03:00
Trung Nguyen ebfe7f68af More cleanup 2020-07-05 00:20:28 -05:00
Trung Nguyen c488e6208d Similar bug fixes to vashishta/gpu 2020-07-04 23:52:32 -05:00
Trung Nguyen adacc7f2a4 Similar bug fixes for tersoff/mod/gpu and tersoff/zbl/gpu; some cleanup for sw/gpu 2020-07-04 19:08:55 -05:00
Trung Nguyen 9f733fb305 Removed unused variables 2020-07-04 00:23:34 -05:00
Trung Nguyen 6de020805f Fixed a bug with tersoff/gpu with building the short neighbor list 2020-07-03 23:55:26 -05:00
Axel Kohlmeyer 66271448ae
Merge pull request #2167 from Vsevak/master 
Update GPU CMake and Makefile scripts for ROCm v3.5
 2020-06-26 13:43:32 -04:00
Vsevak 496bd55dc9 Fix lj/cut/tip4p/long/gpu virial 2020-06-25 17:30:51 +03:00
Vsevak 0ba701acd7 Remove trailing space 2020-06-20 17:25:16 +03:00
Vsevak 723b9e6760 Try to keep compatibility with deprecated ROCm hcc compiler 2020-06-20 15:17:54 +03:00
Vsevak 8eed1b27ff GPU Makefile cleanup 2020-06-19 00:07:10 +03:00
Vsevak f75b8e1688 Fix Makefile for GPU ROCm 3.5 backend 2020-06-18 00:33:46 +03:00
Vsevak 622db7053e Merge remote-tracking branch 'origin/master' 2020-06-15 18:38:40 +03:00
Axel Kohlmeyer f1aaad2b13
remove trailing whitespace 2020-04-27 09:54:05 -04:00
Axel Kohlmeyer d53e468ce0
do not mix c++ style and c-style comments 2020-04-26 22:50:24 -04:00
Axel Kohlmeyer 0b6e5be379
cosmetic edit to trigger new CI test runs 2020-04-26 00:25:07 -04:00
Trung Nguyen 1295a9ef46 Fixed bugs with special bonds for ellipsoid gpu pair styles 2020-04-25 10:28:18 -05:00
Richard Berger 0608002451 Remove trailing whitespace 2020-04-10 15:10:41 -04:00
Richard Berger 19a52dc506 Update lib/gpu/.gitignore 2020-03-30 17:36:22 -04:00
Richard Berger 373b57cfdc Change 'echo -e' to 'printf' for greater compatibility 2020-03-30 17:36:00 -04:00
Richard Berger 4f6dd381c3 Merge branch 'master' into gpu_hip 2020-03-30 17:15:55 -04:00
Eisuke Kawashima 649a8cc01a
Fix typo 2020-03-14 13:57:48 +09:00
Axel Kohlmeyer 5a3a5d86d4
reduce compiler warnings and avoid clash with KOKKOS 2020-03-05 14:27:33 -05:00
Vsevak 3298a86bd9 Reduce redundant copying using UCL_H_Vec::view 2020-02-20 18:32:52 +03:00
Vsevak d024b3d340 Add shared memory optimization 2020-02-12 01:35:44 +03:00
Vsevak 33fc22b752 Fix echo in Makefile 2020-02-03 01:55:20 +03:00
Vsevak 9e8806bd22 Addition to lib/gpu/README for HIP 2020-01-31 21:26:52 +03:00
Vsevak 66c5fa2abd Merge 'gpu_hip_port' into master 2020-01-28 20:35:08 +03:00
Vsevak 43a9936241 Fix tagint usage 2020-01-20 03:38:58 +03:00
Vsevak f69a17dd3a Reduce unnecessary data exchanges 2020-01-19 02:05:16 +03:00
Axel Kohlmeyer 514271c984
recover compilation with -DLAMMPS_BIGBIG and fix whitespace and formatting issues 2020-01-08 17:57:54 -05:00
Axel Kohlmeyer 18a0cd3ead
Merge pull request #1817 from akohlmey/collected-small-fixes 
Collected small bugfixes and updates
 2020-01-08 17:16:34 -05:00
Axel Kohlmeyer d3eed9dba4
Merge pull request #1752 from ndtrung81/gpu-mem-leak-init 
Fixed bugs with kernel (re)compiling when the global device got clear and reinitialized
 2020-01-08 16:17:13 -05:00
Axel Kohlmeyer 6e2c3b7ce9
Merge branch 'master' into collected-small-fixes 2020-01-08 16:14:19 -05:00
Axel Kohlmeyer 481c647889
Merge pull request #1776 from Vsevak/tip4p_gpu 
GPU support for lj/cut/tip4p/long pair style
 2020-01-08 15:35:39 -05:00
Axel Kohlmeyer 00dce6b198
Merge branch 'master' into gpu-mem-leak-init 2020-01-08 14:26:03 -05:00
Vsevak e8a941a0b9 Remove unnecessary data transfer from tip4p/gpu pairstyle init 
Such data transfer is performed at each timestep, so it does not belong to the initialization
 2020-01-08 01:48:47 +03:00
Axel Kohlmeyer 66a473455e
silence warnings from generic OpenCL header files (as seen on Fedora 31) 2020-01-06 17:34:26 -05:00
Vsevak 337b0fd649 Fix 'sametag' transfer 2019-12-22 20:20:12 +03:00
Trung Nguyen 4c3ec145f3 Corrected the wrong use of the stubs path in -rpath 2019-12-17 14:05:39 -06:00
Trung Nguyen 7e8a04d985 More minor update to README 2019-12-12 09:57:49 -06:00
Trung Nguyen 99ba15bf6a Updated README and added -L$(CUDA_HOME)/lib64/stubs to the Makefile's 2019-12-11 16:29:42 -06:00
Vsevak a3fca53e97 Separate the computation of newsite into another kernel 
This eliminates the need for thread fence and makes the calculation stable on GTX1070 (CUDA and OpenCL) and TitanV
 2019-12-07 15:54:20 +03:00
Vsevak 4a51e1660f Add thread fence in kernel to fix Volta indeterminacy 2019-12-07 01:16:39 +03:00
Vsevak a2f9fa8e78 Separate the computation of hneigh into another kernel 
Simplify the main GPU kernel and add another kernel 'k_pair_reneigh'. It works good on GTX1070 (Pascal), but still there is a problem with non-deterministic results on Volta.

I reimplement BaseCharge::compute methods in the child class LJ_TIP4PLong to correctly embed a new kernel in the code.

Also commit includes some codestyle fixes.
 2019-12-06 21:41:02 +03:00