4abff7b4d3
Merge pull request #1986 from akohlmey/correct-kokkos-docs
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Update docs and CMake scripts for Kokkos 3.0+
2020-04-13 11:01:26 -04:00
8b1c6cb279
Merge branch 'omp4-compat' into correct-kokkos-docs
2020-04-12 01:44:47 -04:00
9cf6c72a9c
fix spell-checker issues
2020-04-12 00:36:39 -04:00
82b767f6bd
Merge pull request #1 from akohlmey/omp4-compat
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Update OpenMP 4+ compatibility pull request for LAMMPS
2020-04-11 22:21:41 -04:00
d6624fe444
Merge pull request #1863 from Vsevak/gpu_hip
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HIP back end to GPU package to support AMD GPUs via the ROCm toolkit
2020-04-11 21:14:45 -04:00
2edc6939a8
update and correct docs for OpenMP 3.x vs OpenMP 4.x and how to work around it.
2020-04-11 18:51:10 -04:00
3fa7265ff8
modernize CMake script code and add version tests for Clang and Intel to switch to OpenMP4 semantics
2020-04-11 18:35:37 -04:00
7a16567e2a
better version info output with intel compilers
2020-04-11 18:34:37 -04:00
4acdd161f0
Merge pull request #1937 from jibril-b-coulibaly/fixadapt
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fix adapt: implement scale keyword for diameter/charge and 2d compatibility
2020-04-11 17:31:13 -04:00
832cb57d91
Merge branch 'master' into fixadapt
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# Conflicts:
# doc/src/fix_adapt.rst
2020-04-11 16:24:13 -04:00
15314e3c95
Merge branch 'patch-1' of github.com:LunarLanding/lammps into correct-kokkos-docs
2020-04-11 15:41:14 -04:00
60910e64f1
Fix typo in latex formula (cosine was not squared)
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What the title says; I am assuming it is squared in the implementation.
2020-04-11 17:17:48 +01:00
1aba55a757
Merge branch 'user-cgdna' of github.com:ohenrich/lammps into correct-kokkos-docs
2020-04-10 23:46:16 -04:00
3d1505994c
update false positives list
2020-04-10 23:32:41 -04:00
806fd8cf11
rework KOKKOS package compilation docs for Kokkos 3.0+ and recent changes in CMake support
2020-04-10 23:32:31 -04:00
f01c90b6b0
use consistent capitalization with NVIDIA
2020-04-10 23:20:10 -04:00
b83840c2f8
Merge remote-tracking branch 'github/junghans-CMake-typo' into correct-kokkos-docs
2020-04-10 22:29:19 -04:00
9bf31a66fd
select compute capability 5.0 as default for Kokkos+CUDA preset.
2020-04-10 22:28:21 -04:00
340a2e719d
be verbose about automatically enabling Kokkos_ENABLE_CUDA_LAMBDA
2020-04-10 22:27:42 -04:00
d2c4ade697
Add HIP_USE_DEVICE_SORT CMake option
2020-04-10 18:22:43 -04:00
e114d814f4
add rmass_flag and rectify comments and indents
2020-04-10 16:17:12 -05:00
98fcf83180
Checkout specific hipCUB version
2020-04-10 15:31:06 -04:00
0608002451
Remove trailing whitespace
2020-04-10 15:10:41 -04:00
1a1db599f6
Fix typo
2020-04-10 15:03:48 -04:00
024a91c751
Add documentation on how to compile GPU package with HIP using CMake
2020-04-10 14:50:10 -04:00
4f8a1583b9
Restore --arch line removed during debugging
2020-04-10 14:25:46 -04:00
195e453d17
Add HIP configuration output
2020-04-10 14:24:26 -04:00
b7a2b375c6
Add includes and linked libs for HIP_PLATFORM=nvcc
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Do not set CMAKE_CXX_COMPILER=hipcc in the NVCC case since it causes
all sorts of problems. Instead we use the regular host compiler and
set the necessary include and link paths.
2020-04-10 12:45:39 -04:00
df2ddcc98a
provide 3 presets for KOKKOS compilation: serial, openmp, cuda
2020-04-10 12:16:56 -04:00
28379e145f
set using C++11 w/o extensions globally. move KOKKOS only checks to KOKKOS.cmake
2020-04-10 12:16:24 -04:00
c83dfd2b22
update list of supported Kokkos_ARCH suffixes. convert to table.
2020-04-09 22:52:25 -04:00
469a4f15b7
some tweaks to simplify building the KOKKOS package and to enforce consistent behavior
2020-04-09 22:51:52 -04:00
e39faf4f48
handle change in capitalization of Kokkos variables after upgrade to v3.0
2020-04-09 22:30:48 -04:00
284c67a0f6
partial update of the new kokkos docs
2020-04-09 21:20:17 -04:00
3c0dae3bc5
cmake: fix install error for shared libs
2020-04-09 14:05:48 -06:00
874ef6afc1
cmake: add error when trying to install downloaded libs
2020-04-09 12:36:57 -06:00
6381940b9a
Attempt to get ROCm CUDA working with CMake
2020-04-09 13:53:41 -04:00
e7a8de0368
Add container with both ROCm and CUDA
2020-04-09 13:28:56 -04:00
8dfc6cdef4
Testing.cmake: some clean up
2020-04-09 07:40:17 -06:00
d6aede2549
LAMMPSConfig.cmake: fixed for disabled PKG_SPACE
2020-04-09 07:27:27 -06:00
ed0971d663
cmake: fix a typo
2020-04-09 05:44:57 -06:00
0fa6472c51
Merge branch 'master' into omp4-compat
2020-04-08 23:13:05 -04:00
1c94415d1f
Remove whitespace
2020-04-08 13:57:12 -04:00
438ee4d75b
Merge remote-tracking branch 'origin/master' into gpu_hip
2020-04-08 13:49:41 -04:00
b74aabf05c
Merge pull request #1956 from junghans/cmake_clean_up
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cmake: major refactor of CMake support to take advantage of CMake 3.10 and beyond.
2020-04-08 12:52:06 -04:00
1fed78eecf
Removed abort condition, enabled capped force
2020-04-08 08:23:34 +01:00
459c1bbf63
Merge branch 'master' into cmake_clean_up
2020-04-07 16:17:33 -04:00
15ddbf7e9e
Removed abort condition, enabled capped force
2020-04-07 13:32:05 +01:00
4b6dcb3452
LAMMPSConfig.cmake.in: add support for some more packages
2020-04-06 14:51:44 -06:00
bb9ffe2edc
simple.c: fix lammps include
2020-04-06 14:15:47 -06:00
