45c782308c
Fixing issue from recent GPU package update with OMP_NUM_THREADS env being overridden in GPU library.
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Fixing race condition with OpenMP for GPU styles using torque (missed in regression tests due to the first fix)
Documenting GPU package option for setting the number of threads (consistent with USER-INTEL and USER-OMP).
2021-02-18 21:08:18 -08:00
f367e66aba
documentation corrections, spelling fixes and updates
2021-02-17 18:47:35 -05:00
e575c5fa29
-fopenmp implies -fopenmp-simd
2021-02-17 18:30:02 -05:00
1e5a73c468
silence warnings when using default OpenCL headers. Pick OpenCL v2.1 as default.
2021-02-17 17:36:35 -05:00
721c6d96cc
Removing Makefile.opencl from lib/gpu
2021-02-16 00:36:37 -08:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
06e484d3e0
make flags for supporting GPU archs consistent, add ampere consumer GPU arch
2021-02-07 15:30:55 -05:00
754a469a01
add variable for handling cuda-mps-server
2021-02-05 16:43:51 -05:00
4166235be6
synchronize settings with CMake support
2021-02-05 16:43:18 -05:00
7b87f45d1a
Merge pull request #2554 from akohlmey/accelerator-introspection
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Add accelerator introspection functionality
2021-01-18 11:59:00 -05:00
efda7559c0
Merge branch 'master' into accelerator-introspection
2021-01-16 00:15:07 -05:00
8407145e71
remove obsolete makefiles from lib/gpu based on info from @ndtrung81
2021-01-15 14:51:29 -05:00
537019f91f
Made Nvidia.makefile and Opencl.makefile more compact, stored their older version
2021-01-13 22:52:01 -06:00
57db3631e5
Added Makefile.cuda for CUDA and Makefile.opencl for OpenCL, similar to what has been done in Makefile.hip for HIP
2021-01-13 22:50:32 -06:00
56909e88b1
implement accelerator introspection for GPU package
2021-01-11 17:03:23 -05:00
28641bcbc7
Merge pull request #2402 from ndtrung81/gpu-dpd
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Allowed dpd/tstat/gpu and dpd/gpu to work together in pair style hybrid
2020-10-14 17:18:02 -04:00
67803fe17f
Minor cleanup for dpd/tstat in the GPU library
2020-09-28 11:41:39 -05:00
28812b1ea7
Merge pull request #2381 from akohlmey/collected-small-changes
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Collected small changes
2020-09-24 16:17:28 -04:00
9df1bb4db0
remove obsolete makefiles. Makefile.xk7 is on death watch but Blue Waters still has such nodes
2020-09-22 17:47:14 -04:00
459d51bbea
Do not disable atomics for HIP
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atomics are disabled for NVIDIA 1.0 cards, which should not affect ROCm HIP
2020-09-22 22:34:24 +03:00
7b4304577a
add -std=c++11 flag to compilation of all .cpp files on Linux
2020-09-22 10:58:54 -04:00
2d7b6a9008
remove dead code
2020-09-22 10:12:59 -04:00
2c17652ad6
Created another static instance for dpd/tstat in the GPU library
2020-09-18 10:28:52 -05:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
67a5db03c7
Merge pull request #2326 from ndtrung81/gpu-update-makefiles
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update makefiles in lib/gpu for more recent architectures
2020-08-31 12:30:28 -04:00
ecb1f266b5
More updates
2020-08-30 15:10:29 -05:00
7a5f193c02
Updated several Makefile's in lib/gpu for newer compute capabilities
2020-08-30 15:06:44 -05:00
fdb726629f
revert "fix" for pair style beck/gpu and correct beck and beck/omp instead
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we should consistently apply factor_lj for both, force and energy, or not
2020-08-27 17:14:05 -04:00
a4f1be8fe3
Merge branch 'master' into gpu-bugfix
2020-08-27 17:05:26 -04:00
e4e15157f8
Fixed bugs in the GPU kernels of pair styles beck/gpu and gauss/gpu involving factor_lj
2020-08-26 23:41:00 -05:00
0842911cd8
Rename local buffers 'red_acc' in lal_tersoff*
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Rename __local red_acc in lal_tersoff
2020-08-23 22:22:28 +03:00
7e5e741ea1
update code for ufm/gpu to match changes in base class where uf4 is removed
2020-08-03 08:12:09 -04:00
db47eeb2a9
Fix handling of CL_DEVICE_TYPE flags
2020-07-31 19:21:32 +03:00
29c50671da
Merge pull request #2254 from Vsevak/fix_opencl
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Fix corrupted character in GPU package
2020-07-27 20:08:18 -04:00
2bb5c53a47
remove/replace extended ASCII characters from comments
2020-07-27 17:15:29 -04:00
634f274a04
whitespace cleanup: replace tabs and remove trailing whitespace
2020-07-27 17:14:53 -04:00
93f14e9bba
Fix broken ASCII symbol in GPU package
2020-07-27 20:16:55 +03:00
ebfe7f68af
More cleanup
2020-07-05 00:20:28 -05:00
c488e6208d
Similar bug fixes to vashishta/gpu
2020-07-04 23:52:32 -05:00
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
9f733fb305
Removed unused variables
2020-07-04 00:23:34 -05:00
6de020805f
Fixed a bug with tersoff/gpu with building the short neighbor list
2020-07-03 23:55:26 -05:00
66271448ae
Merge pull request #2167 from Vsevak/master
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Update GPU CMake and Makefile scripts for ROCm v3.5
2020-06-26 13:43:32 -04:00
496bd55dc9
Fix lj/cut/tip4p/long/gpu virial
2020-06-25 17:30:51 +03:00
0ba701acd7
Remove trailing space
2020-06-20 17:25:16 +03:00
723b9e6760
Try to keep compatibility with deprecated ROCm hcc compiler
2020-06-20 15:17:54 +03:00
8eed1b27ff
GPU Makefile cleanup
2020-06-19 00:07:10 +03:00
f75b8e1688
Fix Makefile for GPU ROCm 3.5 backend
2020-06-18 00:33:46 +03:00
622db7053e
Merge remote-tracking branch 'origin/master'
2020-06-15 18:38:40 +03:00
f1aaad2b13
remove trailing whitespace
2020-04-27 09:54:05 -04:00
