d71e037c23
Renamed dev_acc to dev_ilist for better description and updated the 3-body styles accordingly; also fixed bugs with accessing dev_packed from the three_end kernel of tersoff/mod and tersoff/zbl gpu styles for OpenCL builds
2018-07-22 11:27:14 -05:00
94da4be922
Fixed bugs for tersoff gpu styles for OpenCL builds
2018-07-21 13:50:10 -05:00
01c27194d4
Fixes for lal_neighbor.cpp for get_host() and for time_kernel
2018-07-21 00:18:30 -05:00
223de57401
Added set_platform_accelerator() for nvd_device.h for OpenCL compatibility
2018-07-21 00:14:31 -05:00
884e72a4ba
Merge pull request #1008 from akohlmey/support-platform-select
...
OpenCL related fixes and improvements to the GPU package
2018-07-20 14:32:49 -06:00
de8176b4fc
various minor OpenCL related fixes and improvements to the GPU package
...
- document previously undocumented OpenCL tune settings
- implement OpenCL platform selection through prefixing the device type with the platform id separated by a colon
- allow passing custom tune parameters though postfixing the device type with the 13 tuneable parameters separated by commas
- remove an extra clear() that would delete device properties structs an cause LAMMPS to output garbage strings
2018-07-20 14:41:54 -04:00
2eb8d779e8
Fixes a memory leak when using OpenCL
...
The GPU package uses OpenCL events for measuring time. These have to be
released to free up memory. I removed the clReleaseEvent() calls in the
clear() method because in some cases they don't exist yet and I couldn't
find a way to check for a valid event (clRetainEvent didn't work). This
at least fixes the massive leak during simulations.
See issue #1006
2018-07-18 18:54:57 -04:00
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
