|
|
5cb3d15ada
|
Add Kokkos support for atom sorting on device
|
2023-04-19 12:47:38 -06:00 |
|
|
|
96e94c74da
|
Merge branch 'develop' of https://github.com/lammps/lammps into kk_overlap
|
2023-02-02 13:34:28 -07:00 |
|
|
|
c0c5c34290
|
Disable Kokkos GPU <--> CPU overlap when using pair hybrid with non-Kokkos styles
|
2023-02-01 16:13:09 -07:00 |
|
|
|
34e8a74989
|
apply changes suggested by clang-tidy
|
2023-01-27 11:49:43 -05:00 |
|
|
|
9099f7b7a5
|
Use minimal scope for args
|
2022-12-23 11:09:03 -07:00 |
|
|
|
3137122476
|
remove kokkos numa option and its documentation
|
2022-12-21 12:31:32 -05:00 |
|
|
|
8b22b22203
|
remove conditional compatibility code for pre-3.7 Kokkos versions
|
2022-12-21 12:28:49 -05:00 |
|
|
|
e137240909
|
Fix init arguments fnd some join stuff for Kokkos 4
|
2022-12-16 12:36:11 -07:00 |
|
|
|
e0181e8c46
|
refactor handling of pair/only flag for GPU and KOKKOS
|
2022-10-28 16:38:11 -04:00 |
|
|
|
e2f263b827
|
protect against division by zero
|
2022-10-27 17:04:10 -04:00 |
|
|
|
248b7383c7
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
|
2022-10-24 15:50:50 -04:00 |
|
|
|
2132b1d904
|
update developer reference text
|
2022-10-24 11:08:26 -04:00 |
|
|
|
b939ea55f6
|
allow -kokkos on g 0 without GPU support, report GPUs only if ngpu > 0
|
2022-10-24 05:05:49 -04:00 |
|
|
|
cccf3f6f78
|
change email for contacting LAMMPS developers, add to homepage checker
|
2022-10-20 20:36:03 -04:00 |
|
|
|
247a2b12b3
|
use utils::inumeric() instead of atoi() (not for parsing environment variables yet)
|
2022-08-09 14:30:44 -04:00 |
|
|
|
d5170a1703
|
one more env var for local rank
|
2022-08-09 17:35:22 +00:00 |
|
|
|
e583f54ca7
|
fix off-by-one bug
|
2022-07-27 19:12:36 -04:00 |
|
|
|
ae7215037d
|
Finish porting pair MEAM to Kokkos
|
2022-07-01 11:20:51 -06:00 |
|
|
|
940e88d2ca
|
more clang-tidy fixes
|
2022-05-13 21:12:48 -04:00 |
|
|
|
6dae6198a2
|
Add neigh transpose as Kokkos package option
|
2022-03-25 09:17:39 -07:00 |
|
|
|
d4bbb31270
|
Improve error check
|
2022-02-15 16:04:23 -07:00 |
|
|
|
d9e06e326a
|
Merge branch 'develop' of github.com:lammps/lammps into kk_error
|
2022-02-15 12:11:52 -07:00 |
|
|
|
c2d59d5d5e
|
Add error if using multiple threads with Kokkos Serial backend
|
2022-02-15 11:52:59 -07:00 |
|
|
|
c6a17b900e
|
just call exit() on windows instead forwarding the SEGV signal
|
2022-02-03 13:31:24 -05:00 |
|
|
|
222063e5cf
|
Add preliminary support for Kokkos OpenMPTarget backend
|
2021-10-15 17:32:37 -06:00 |
|
|
|
f17aeebbcd
|
make compilable on windows
|
2021-10-05 22:31:39 -04:00 |
|
|
|
1ba77e1629
|
apply utils::logical() in more places
|
2021-09-21 14:15:02 -04:00 |
|
|
|
fde6cae56d
|
Add logic for GPU-enabled MPICH
|
2021-07-22 08:44:32 -06:00 |
|
|
|
b1d16508fe
|
small tweak to recover first initialization settings for consistent output
|
2021-06-30 17:40:42 -04:00 |
|
|
|
d7a24dee91
|
Add warning
|
2021-06-30 12:08:33 -06:00 |
|
|
|
2ef47fce69
|
add missing initializer for KokkosLMP::is_finalized
|
2021-06-27 16:08:22 -04:00 |
|
|
|
8ec3d90f5c
|
simplify
|
2021-06-27 15:41:59 -04:00 |
|
|
|
ef54c7290e
|
must pass pointer to Error class as argument since static functions don't have access to "this"
|
2021-06-27 15:40:38 -04:00 |
|
|
|
a74a718b6f
|
Add additional error check
|
2021-06-25 10:47:55 -06:00 |
|
|
|
2d5e8f050a
|
Make Kokkos init/finalize calls safer
|
2021-06-24 13:25:35 -06:00 |
|
|
|
ddac9c21dc
|
Update from master
|
2021-06-24 11:57:21 -06:00 |
|
|
|
09c19a936b
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
|
|
d1941392d3
|
disable clang-format for all existing .cpp files (for now)
|
2021-05-05 23:53:38 -04:00 |
|
|
|
cc4f25e77c
|
Fix typo in MVAPICH flag for Kokkos CUDA-Aware MPI
|
2021-04-27 13:44:27 -07:00 |
|
|
|
ec5490e467
|
Allow compiling with SYCL
|
2021-03-16 21:04:51 +00:00 |
|
|
|
ae3bcff4b6
|
Merge branch 'master' into collected-small-changes
|
2021-01-05 15:24:00 -05:00 |
|
|
|
df01bbc016
|
provide input script backward compatibility w/o documenting the old option
|
2021-01-04 23:28:58 -05:00 |
|
|
|
382ade15fe
|
more consistent formatting of for/while loops and if statements
|
2020-12-30 09:09:08 -05:00 |
|
|
|
320c32448c
|
Fix merge conflicts
|
2020-12-23 10:53:19 -07:00 |
|
|
|
37063ab61f
|
Small tweaks
|
2020-12-23 09:22:27 -07:00 |
|
|
|
2962fa561d
|
Revert comm flags if pair/only is turned off
|
2020-12-22 21:08:07 -07:00 |
|
|
|
4befc0fa56
|
Fix logic error
|
2020-12-22 15:25:40 -07:00 |
|
|
|
d192a77763
|
Small tweaks
|
2020-12-22 14:47:41 -07:00 |
|
|
|
4520ef16e3
|
Cleanup
|
2020-12-22 14:22:41 -07:00 |
|
|
|
8ba288e167
|
Remove unneeded UVM code
|
2020-12-22 13:16:58 -07:00 |
|
