167abe9ce0
add preprocessor flags to select between the changed and the old code variant
2022-09-09 12:41:24 -04:00
0d2db984eb
Merge branch 'develop' into benmenadue/develop
2022-09-06 19:25:21 -04:00
294a1c2168
Use primary context in CUDA GPU code.
...
Since LAMMPS uses the low-level driver API of CUDA, it needs to ensure
that it is in the correct context when invoking such functions. At the
moment it creates and switches to its own context inside `UCL_Device::set`
but then assumes that the driver is still in that context for subsequent
calls into CUDA; if another part of the program uses a different context
(such as the CUDA runtime using the "primary" context) this will cause
failures inside LAMMPS.
This patch changes the context creation to instead use the primary
context for the requested device. While it's not perfect, in that it
still doesn't ensure that it's in the correct context before making
driver API calls, it at least allows it to work with libraries that use
the runtime API.
2022-09-06 09:28:51 +10:00
51a4819bfc
Fixed an illegal preprocessor issue.
2022-09-02 11:42:30 -04:00
8d77c1daee
Merge remote-tracking branch 'origin/develop' into tip4p_cornercase
2022-08-25 17:58:17 +03:00
baf3e614fb
Add comments for tip4p GPU kernels
2022-08-07 22:26:11 +03:00
5fee276348
add some GNU Make magic(tm) to Makefile.hip to adapt itself to OpenMPI and MPICH
2022-07-28 07:03:58 -04:00
e7ffa7fae3
Add Makefile support for CHIP-SPV
2022-07-27 08:34:35 +00:00
e973a4b31c
workaround for CHIP-SPV different textrure func
2022-07-26 16:19:11 +00:00
b2cdc40919
Enable CHIP-SPV support
2022-07-26 16:00:43 +00:00
fc741e0df6
changed names of files, and added a lj12-5 function type.
2022-07-08 17:28:50 +09:00
59dc63d003
Add typecasting for consts in tip4p GPU kernels
2022-06-01 01:29:18 +03:00
4b2509beed
Merge branch 'develop' into tip4p_bug
2022-05-30 18:54:28 +03:00
e9051620a5
Cleanup
2022-05-28 00:39:07 +03:00
d8f8a3a36a
Handle inconsistent J molecules in tip4p/gpu
2022-05-28 00:24:24 +03:00
d4ea5ca49e
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
f09556018b
fix bugs reported by @jibril-b-coulibaly
2022-04-28 14:47:53 -04:00
bd6d7b9136
clarify CUDA versus OpenCL build and runtime restrictions
2022-04-13 14:24:43 -04:00
f3363070e7
remove support for CUDA toolkits before version 8 and GPUs older than Kepler
2022-04-12 15:48:16 -04:00
b36262cd11
cosmetic
2022-04-10 20:47:42 -04:00
d6f7570d57
avoid redundant use of boolean literals
2022-04-10 20:47:31 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
77565add6e
Add C++14 to Makefile build system
...
Change-Id: I24f72b4aaca93a49877775c3d181507c83cd7f82
2022-04-07 17:54:20 -04:00
537e3f2539
silence compiler warnings
2022-02-17 23:13:13 -05:00
5f47ff770c
Merge pull request #3127 from akohlmey/gpu-opencl-updates
...
Update compiling OpenCL loader lib
2022-02-14 16:10:53 -05:00
83beffbb9f
whitespace
2022-02-13 17:08:18 -05:00
193dea6327
Updated the comment to be precise on the case
2022-02-13 14:51:00 -06:00
159f107abd
Corrected the added comment
2022-02-13 11:16:01 -06:00
bae4e45978
Added a comment to the added check while looping over the neighbors of ghost atoms
2022-02-13 09:17:05 -06:00
55a500cf8a
Fixed bugs with in the kernel sw_three_end kernel
2022-02-13 00:42:26 -06:00
a17bdf5652
silence compiler warnings and avoid infinite recursion in aspherical pair styles
2022-02-11 21:06:16 -05:00
7e92809288
Merge pull request #3069 from Vsevak/fix-hip-ffast-math
...
Fix HIP Makefile under lib/gpu
2022-01-03 11:37:55 -05:00
14e5474174
restore obsolete compilation settings similar to parallel makefile
2021-12-27 20:31:42 -05:00
b781410f92
Delete fast-math flag from Makefile.hip for AMD platforms
2021-12-28 03:11:02 +03:00
5594a38bb7
replace explicit Makefile.mpi with symbolic link
2021-12-27 10:47:23 -05:00
6357f19260
Added back Makefile.mpi in lib/gpu/ to be consistent with documentation; updated Makefile.*; and removed the unnecessary Makefile.turing
2021-12-27 00:14:04 -06:00
ede188652b
update a few GPU kernels so they can be compiled on GPUs without double precisions support
2021-10-21 07:33:00 -04:00
87b63f768f
Only check for GPU double precision support if a GPU is present
2021-10-18 12:15:05 -04:00
e990a1cf61
remove ambiguity between "double_precision" class member variable and function
2021-10-16 21:07:04 -04:00
afad3f42d5
Report only compatible GPU, i.e. no GPU if mixed/double precision is requested by the hardware does not support it
2021-10-13 21:15:16 -04:00
dd6e3c1acc
avoid variable length array and signed vs. unsigned warnings
2021-10-08 20:07:20 -04:00
9da8c932ab
make check more obvious
2021-09-25 21:33:10 -04:00
530912a930
detect double precision support according to OpenCL specs (1.2 and later)
2021-09-25 07:20:52 -04:00
42dca75225
add check and suitable error message when fp64 is required but not available
2021-09-24 12:17:58 -04:00
17ba0d5804
possible workaround for some GPU package neighbor list issue
2021-09-22 21:47:32 -04:00
afccf1933f
correctly specify the destructor function name.
2021-09-20 23:40:14 -04:00
cd3efc3fa8
initialize all members
2021-09-17 22:45:26 -04:00
e6fb0e3bd8
small tweaks
2021-09-17 16:51:37 -04:00
5411075cc6
modernize
2021-09-16 07:44:27 -04:00
00e396c921
move misplaced #endif and make code more readable
2021-09-16 07:33:24 -04:00
