7a5f73137a
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
0252d8c210
Fix compile for UVM
2020-03-25 13:58:20 -06:00
e298978da0
Change Kokkos::Impl to std namespace
2020-03-25 13:58:12 -06:00
2b5a6d3b7f
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
f0e48931e4
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
a6d10ba91d
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
80dffb27e2
Add missing header files
2017-12-01 11:33:42 -07:00
15a3364c2c
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
611bb6f130
Reduce memory churn in pair_table_rx_kokkos
2017-06-08 09:31:51 -06:00
bf4f0817d4
fix memory leaks in pair_tabl_rx_kokkos
2017-03-31 15:57:00 -06:00
f4a08ba4fc
pass Views by reference for pair_table_rx_kokkos
...
this greatly speeds up pair_table_rx_kokkos,
and should put it on par with pair_table_rx
in the Serial case
2017-03-15 09:25:16 -06:00
4b4bc7dc3b
USER-DPD: specialize PairTableRXKokkos's compute_all_items() on NEWTON_PAIR
...
No noticable performance change, but it does eliminate a deep conditional.
2017-03-13 03:03:27 -04:00
d5eceebf32
USER-DPD Kokkos: add support for full neighbor lists.
...
Note: "newton on" still required if using non-kokkos pair styles or fixes.
Non-kokkos pairs/fixes don't expect their half lists with newton off,
which happens if newton is turned off globally by kokkos via commandline.
Note2: Regardless, fix_shardlow* will still use half lists and newton on.
2017-03-13 01:56:00 -04:00
fc23f9cfe8
Disable allocation of per-atom arrays in ev_setup for USER-DPD Kokkos styles
2017-03-08 13:07:52 -07:00
0982331c71
USER-DPD Kokkos: replicate 7a593c2f bugfix to pair_table_rx_kokkos.cpp
2017-03-01 09:49:24 -05:00
688df1c254
fix CUDA type issues in pair_table_rx_kokkos
...
stop using the global DAT, use the pair's
DeviceType for all the relevant types.
2017-01-13 14:40:36 -07:00
a42a666142
support for eatom and vatom in pair_table_rx_kokkos
2017-01-13 13:23:26 -07:00
4dab6737ba
remove leftover code
2017-01-12 14:15:42 -07:00
52761aee0d
it compiles.
2017-01-11 13:18:13 -07:00
5dcbbba4ce
lots of work towards compiling
2017-01-11 13:15:01 -07:00
fdb6b91e29
near trying to compile
2017-01-11 12:50:32 -07:00
41804ff524
progress converting compute_style
2017-01-11 12:42:05 -07:00
c2bb20e60f
made compute_fpair a free function as well
2017-01-11 11:54:01 -07:00
cb9fdf7801
starting to separate compute_item from the class
2017-01-11 11:44:54 -07:00
b5ff41f5ef
made MixingWeights code non-member
...
CUDA was simply giving too many
errors dealing with captures of
member variables.
2017-01-11 11:10:33 -07:00
6a9a0e8c33
tracking down some invalid reads...
2017-01-11 09:25:13 -07:00
55aa91be6b
copy uCG and uCGnew correctly
2017-01-10 15:28:19 -07:00
e4673d7fa8
fix compilation
2017-01-10 15:28:19 -07:00
c877c07491
progress towards custom compute functor
...
which is needed to handle uCG contributions.
2017-01-10 15:28:19 -07:00
4d5abe64d5
draft compute_fpair for PairTableRXKokkos
2017-01-10 15:28:19 -07:00
afbc6fc628
added coeff, settings, single, fix compile
2017-01-10 15:28:19 -07:00
21cde6261a
add member variables from PairTableRX
2017-01-10 15:28:19 -07:00
f995bb4335
starting to add getMixingWeights
...
some compile errors to work out
2017-01-10 15:28:19 -07:00
6abefe7ef9
restarting PairTableRXKokkos
...
as an exact copy of PairTableKokkos,
now that it derives from PairTable
2017-01-10 15:28:19 -07:00
3e2cd6d265
Merging from master to 13Dec16 version
2016-12-14 11:46:04 -07:00
1dbf6d443f
Adding Kokkos files
2016-12-13 16:43:40 -07:00
