5eee4cb1ba
C4 JT 041420
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- reran all SPIN examples
2020-04-14 15:44:15 -06:00
677f5cc997
C3 JT 041420
2020-04-14 15:22:20 -06:00
da36b252cc
remove even more trailing whitespace
2020-04-14 06:08:10 -04:00
dc7853956a
remove trailing whitespace
2020-04-14 06:01:07 -04:00
41cfb3ae80
Merge branch 'master' into neel-rework
2020-04-14 05:57:08 -04:00
01d2fae925
Merge pull request #1992 from akohlmey/collected-small-changes
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Recover cross compilation with MinGW
2020-04-13 21:05:56 -04:00
2321789de0
Merge pull request #1993 from akohlmey/strncmp-update
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Use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
2020-04-13 20:44:28 -04:00
11b069ffe7
use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
2020-04-13 13:38:38 -04:00
61871c3348
Merge pull request #1979 from ohenrich/user-cgdna
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USER-CGDNA: Introduced capped force in oxDNA-FENE bonds
2020-04-13 12:59:57 -04:00
6929b3caa3
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
2020-04-13 12:03:27 -04:00
209a3fde71
use MY_PI everywhere, not M_PI.
2020-04-13 12:02:53 -04:00
6c3bb9f511
use MY_PI everywhere, not M_PI.
2020-04-13 11:43:16 -04:00
5d2ec73c5d
re-enable cross-compilation with mingw64
2020-04-13 11:22:19 -04:00
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
f159c57f08
Adding square roots to inf norm instances in min.cpp
2020-04-13 08:15:59 -06:00
38343f3c03
C2 JT 041320
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- removing a commented line
2020-04-13 08:05:06 -06:00
8fabd79440
Commit JT 041320
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- corrected pair/spin to recover tests
2020-04-13 07:53:27 -06:00
394c906979
Merge branch 'master' into user-cgdna
2020-04-13 10:40:55 +01:00
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
