e30c5fc956
Fixed shebang and renamed to lib/kim/Install.py
2017-07-10 21:05:29 -05:00
c29e8fba9b
Updated lib/kim/README file to go along with new install.py
2017-07-10 17:00:30 -05:00
8d592f4b9e
Finalized code for lib/kim/install.py
2017-07-10 16:43:23 -05:00
ea2b01e83b
Refactored 3-body gpu styles to remove code duplication
2017-07-08 20:17:31 -05:00
34fe2273f6
Added short neighbor list implementation for tersoff/zbl/gpu and tersoff/mod/gpu
2017-07-08 14:59:48 -05:00
77c60189b8
Minor cleanups for tersoff/gpu
2017-07-08 14:43:53 -05:00
1c6533e53d
Working on short neighbor list for tersoff/gpu
2017-07-08 14:15:26 -05:00
68206079da
Supported short neighbor lists for 3-body kernels in sw/gpu and vashishta/gpu
2017-07-07 16:47:24 -05:00
b0be8b24ea
Further work on lib/kim/install.py
2017-07-06 15:50:03 -05:00
16fc2d6fe1
Add install.py and update config for kim lib
2017-07-06 15:49:58 -05:00
da0dcbe0bb
Updating to master
2017-06-19 10:56:24 -06:00
d3c90f3c14
Merge pull request #510 from akohlmey/collected-small-changes
...
Collected small changes
2017-06-15 11:12:14 -06:00
7227bc415d
Merge pull request #526 from andeplane/vashishta_gpu
...
Implemented pair style vashishta in GPU package
2017-06-15 08:52:13 -06:00
d7646aeeed
Fixed opencl error
2017-06-14 12:03:47 +02:00
5f9341813d
Removed debug output
2017-06-14 10:57:54 +02:00
8441307185
Removed non-general CUDA-dir in makefile
2017-06-14 10:28:46 +02:00
720af5c360
Added vashishta to OpenCL makefile
2017-06-14 10:27:52 +02:00
eeff0b8633
Added vashishta GPU package for NVidia
2017-06-14 10:24:16 +02:00
0ecdb99885
fix uninitialized data access as reported by @martok in #174
2017-06-08 13:50:17 -04:00
00ce15d043
Remove tpls dir
2017-06-08 10:43:19 -06:00
5c1d17d1c0
Updating Kokkos lib to v2.03.05
2017-06-08 10:42:08 -06:00
2cf83d9fca
Updating from master to 19May17
2017-05-25 11:21:10 -06:00
98713680ec
added alternative linking line for intel mkl
2017-05-17 11:36:31 -06:00
f8af7edf92
Merge remote-tracking branch 'upstream/master' into python_refactoring
2017-05-06 16:00:22 -04:00
fbddfe2729
Merge pull request #455 from stanmoore1/kokkos_update
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Updating Kokkos library to version 2.03.00
2017-05-04 11:23:39 -06:00
dcc5472cba
Merge pull request #452 from akohlmey/small-fixes-and-updates
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Small fixes and updates
2017-05-04 11:23:23 -06:00
addd87c0f7
new Section package and start doc pages and build scripts
2017-05-04 11:22:20 -06:00
b8cb80b219
rename files in GPU library from cg_cmm to lj_sdk
2017-04-26 19:46:10 -04:00
cd435c0c58
change references from cg_cmm to lj_sdk and from cmm to sdk
2017-04-26 19:44:25 -04:00
cc6104aeaf
Merge branch 'master' into kokkos_update
2017-04-25 14:11:36 -06:00
8910ec6e59
Updating Kokkos lib to 2.03.00
2017-04-25 13:48:51 -06:00
25e8ed63a2
whitespace cleanup in VMD plugin headers
2017-04-18 11:46:19 -04:00
dee3536144
update VMD molfile plugin headers and move them to lib/molfile (where they belong)
2017-04-18 11:42:31 -04:00
3cbf4f3b58
correct logic bug in else branch of the conditional
2017-04-14 11:57:53 -04:00
6c2dd7ebb1
pass the name of the python interpreter compatible with the python package to 'make install-python'
2017-04-14 11:44:36 -04:00
9a027a01da
Add Python 3 compatibility to PYTHON package
2017-04-11 20:24:42 -04:00
49dd9449b8
fix gcmc updates from Aidan, trimming of output for replica commands
2017-04-11 08:35:09 -06:00
17c8e695a4
Merge branch 'master' into USER-DPD_kokkos as of patch 10 Mar 2017
2017-03-10 21:37:52 -05:00
5fe6206638
Update Colvars module to version 2017-03-10
2017-03-10 09:16:58 -05:00
3298c37982
Makefile.lammps.gfortran for latte
2017-03-09 14:30:21 -07:00
de27305227
Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos
2017-03-07 11:47:18 -07:00
e261bef7bb
Spelling fixes in source files
2017-03-05 18:30:39 -05:00
641bf72f20
lib kokkos: Enable deterministic use of Random_XorShift*_Pool.
...
Add support for lock-free and deterministic use of Random_XorShift*_Pool
by giving state_idx selection and lock responsibility up to the
application. Done by an overload of get_state() to take sate_idx as
an argument that the appplication guarantees is concurrently unique
and within the range of num_states that the application passed to init().
In other words, this allows the RNG state to be associated with some
application specific index, rather than a runtime arbitrary thread ID,
and thus the application can control which work is performed using
which RNG in a deterministic manner, regardless of which thread
performs the work.
2017-03-01 11:52:33 -05:00
6e26358ec3
lib kokkos bugfix: on a CUDA host, the random state wasn't preserved.
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Random_XorShift*_Pool<Kokkos::Cuda>::free_state() has two purposes:
1) update the state value kept in the pool
2) unlock the state
For a CUDA host thread, ONLY skip step 2, not both.
2017-03-01 11:46:26 -05:00
2dcbc805ba
min latte partially fixed
2017-02-23 18:20:02 -07:00
90e5ae965d
Add missing flags to Kokkos Makefile
2017-02-13 11:19:46 -07:00
33af7ab248
Remove merge line
2017-02-13 10:59:22 -07:00
8f9b2aca06
Removing unused files in Kokkos lib
2017-02-13 10:53:51 -07:00
383da816c2
Updating Kokkos lib
2017-02-13 10:50:34 -07:00
6d47cf350c
Makefile for latte_dev
2017-01-19 15:42:09 -07:00
