|
|
a62b65096b
|
more error checks for Scafacos usage
|
2018-07-18 15:48:17 -06:00 |
|
|
|
b0c9fde1dd
|
more changes from Steve
|
2018-07-18 15:32:03 -06:00 |
|
|
|
e7f4e059cf
|
convert to KSspace style rather than fix
|
2018-07-13 16:46:06 -06:00 |
|
|
|
67e6afaab2
|
Update to KIM kim-api-v2.0.0-beta.1
|
2018-07-11 15:09:58 -07:00 |
|
|
|
5bdc295331
|
Add skin to pair_kim neigh-list cutoffs & update docs
|
2018-07-11 15:09:58 -07:00 |
|
|
|
955fe583d8
|
Updated docs for new pair_kim
|
2018-07-11 15:09:57 -07:00 |
|
|
|
8bbba22867
|
First working version of pair_kim with kim-api-v2
|
2018-07-11 15:09:28 -07:00 |
|
|
|
4734bc09dc
|
Added descriptions of static linking of PLUMED to README files
|
2018-07-11 21:56:08 +01:00 |
|
|
|
492e945b5a
|
Added options to link plumed statically
|
2018-07-11 16:39:52 +01:00 |
|
|
|
ad4f61a5ce
|
update fatbin makefile for libgpu.a to latest additions
|
2018-07-10 09:07:54 -04:00 |
|
|
|
08552fefe9
|
add md5 checksum support to Install.py for LATTE
|
2018-06-27 16:52:28 -04:00 |
|
|
|
49a91db0b2
|
small changes to last LATTE PR, including xControl to upper case
|
2018-06-25 17:43:31 -06:00 |
|
|
|
5e48565761
|
Merge pull request #961 from cnegre/newsystem
Added newsystem flag to be passed to latte
|
2018-06-25 17:20:57 -06:00 |
|
|
|
af91f7fa5d
|
LAMMPS does not build on windows without this one
|
2018-06-25 18:13:41 -04:00 |
|
|
|
0cd86bab22
|
Added new checksum value
|
2018-06-25 14:58:49 -06:00 |
|
|
|
2165a2aa9b
|
Changed version on cmakelist and install.py
|
2018-06-22 10:04:20 -06:00 |
|
|
|
f5f73b0172
|
Merge pull request #958 from ndtrung81/gpu-updates
Bug fixes and updates to the GPU package
|
2018-06-22 08:52:20 -06:00 |
|
|
|
28504e91c0
|
Added missing source files for born/coul/wolf/cs in the gpu library
|
2018-06-20 15:08:24 -05:00 |
|
|
|
a9b794b2ab
|
Updates to the core-shell gpu pair styles
|
2018-06-20 10:43:13 -05:00 |
|
|
|
3ae8fdccd8
|
Updated the kernels for born/coul/long/cs and coul/long/cs gpu styles
|
2018-06-19 16:22:00 -05:00 |
|
|
|
70a7b37614
|
Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds to support core-shell styles where r2 can be tiny.
|
2018-06-19 15:50:02 -05:00 |
|
|
|
fe14bfd1d2
|
Merge pull request #951 from martok/meam-diaref-fix
Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang
|
2018-06-18 10:29:57 -06:00 |
|
|
|
16cc613993
|
Merge pull request #920 from junghans/mscg
cmake: add DOWNLOAD_MSCG option
|
2018-06-18 10:06:16 -06:00 |
|
|
|
6842a527e0
|
Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests
|
2018-06-18 00:15:28 -05:00 |
|
|
|
265b6c261e
|
Fixed bugs with lj/expand/coul/long and its gpu version
|
2018-06-15 23:38:37 -05:00 |
|
|
|
fe483a769f
|
update makefiles in lib/linalg to support .F files in addition to .f files
|
2018-06-15 15:35:34 -04:00 |
|
|
|
f312fbfe32
|
update Install.py to use a specific numbered release version instead of master
|
2018-06-15 15:16:10 -04:00 |
|
|
|
f68c6dddb8
|
Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang
|
2018-06-15 12:33:38 +02:00 |
|
|
|
661848139c
|
Merge pull request #926 from ndtrung81/gpu-updates
some updates to the GPU package
|
2018-06-13 12:57:01 -06:00 |
|
|
|
37268e435b
|
Merge remote-tracking branch 'origin/master' into mscg
|
2018-06-08 18:06:06 -06:00 |
|
|
|
a4a3133b76
|
Switched to standard C++ header files for consistency with other source files
|
2018-06-01 23:13:49 -05:00 |
|
|
|
c27e617fd8
|
Add logic to Makefile.kokkos
|
2018-05-29 11:33:18 -06:00 |
|
|
|
1422b0413b
|
Update Kokkos library to v2.7.00
|
2018-05-25 15:00:53 -06:00 |
|
|
|
341fa160fe
|
Updated UCL_Device built with OpenCL to use platforms that support accelerators by default
|
2018-05-23 16:11:55 -05:00 |
|
|
|
2f9e6d4566
|
Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole/long/gpu
|
2018-05-21 23:32:25 -05:00 |
|
|
|
4ec31564fe
|
fix preprocessor directive bug in lib/atc
|
2018-05-21 16:50:16 -04:00 |
|
|
|
838a1938bb
|
Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch
|
2018-05-20 17:03:12 -05:00 |
|
|
|
2e7b919774
|
linalg: update to netlib lapack-3.7.1
|
2018-05-18 15:20:47 -06:00 |
|
|
|
858c211fdc
|
linalg: add functions needed for MSCG
|
2018-05-18 15:08:08 -06:00 |
|
|
|
5a4a7cebc1
|
Fix performance regression in KOKKOS package
|
2018-05-16 16:12:05 -06:00 |
|
|
|
bebf25dcb3
|
Merge pull request #912 from ellio167/kim-update
Update to kim-api-v1.9.5
|
2018-05-14 16:16:18 -06:00 |
|
|
|
09046ad3f7
|
Update to kim-api-v1.9.5
Fixes the 'everything' option
|
2018-05-12 10:08:09 -05:00 |
|
|
|
233f03ea8e
|
windows portability bugfix
|
2018-05-11 18:03:49 -04:00 |
|
|
|
724ade0af3
|
silence compiler warnings about bool vs int in AtC lib
|
2018-05-10 18:48:47 -04:00 |
|
|
|
40a8b1af79
|
fix stupid bug in AtC when using alloca() instead of VLAs
|
2018-05-10 17:42:10 -04:00 |
|
|
|
79d1d3458e
|
revive lib/atc/Makefile.mpic++
|
2018-05-10 15:44:36 -04:00 |
|
|
|
fccc16f42c
|
tune OpenCL for generic architecture by default
|
2018-05-08 00:50:23 -04:00 |
|
|
|
e7e1827e57
|
remove variable length arrays in gpu lib
|
2018-05-08 00:48:53 -04:00 |
|
|
|
318dfd0613
|
correct indentation
|
2018-05-08 00:32:49 -04:00 |
|
|
|
f4d14c96e8
|
convert poems lib to use c++-style header includes
|
2018-05-08 00:29:56 -04:00 |
|
