5a98a38e24
GPU Package: Switching to parallel GPU initialization / JIT compilation.
2022-10-07 13:25:14 -07:00
f715f174bb
GPU Package: Print OCL platform name to screen when multiple platforms
2022-10-06 21:40:42 -07:00
6e34d21b24
GPU Package: Switching back to timer disabling with multiple MPI tasks per GPU. Logic added to prevent mem leak.
2022-09-28 21:02:16 -07:00
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
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
a17bdf5652
silence compiler warnings and avoid infinite recursion in aspherical pair styles
2022-02-11 21:06:16 -05:00
87b63f768f
Only check for GPU double precision support if a GPU is present
2021-10-18 12:15:05 -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
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
e6fb0e3bd8
small tweaks
2021-09-17 16:51:37 -04:00
353b3a2bb3
reformat for increased readability
2021-09-16 07:25:04 -04:00
2de482f825
Merge pull request #2911 from akohlmey/fix-gpu-package-issues
...
Fix minor GPU package issues for the stable release
2021-08-30 13:45:23 -04:00
39d8b239ff
don't report bogus timings
2021-08-29 17:56:47 -04:00
89556f0bcb
Override any OpenCL fast math JIT settings for born/coul/wolf{/cs}/gpu to resolve numerical deviations seen with some OpenCL implementations.
2021-08-28 17:01:58 -07:00
a687868c69
finalize available GPU hardware introspection functions
2021-05-10 16:34:27 -04:00
fbdcfb2f72
preliminary interface to detect whether a viable GPU is present
2021-05-10 09:16:51 -04:00
299ad3b37d
work around bogus device overhead info in OpenCL
2021-05-08 23:43:15 -04:00
717faa6515
correctly detect GPU package with CUDA api
2021-04-06 19:12:28 -04:00
45c782308c
Fixing issue from recent GPU package update with OMP_NUM_THREADS env being overridden in GPU library.
...
Fixing race condition with OpenMP for GPU styles using torque (missed in regression tests due to the first fix)
Documenting GPU package option for setting the number of threads (consistent with USER-INTEL and USER-OMP).
2021-02-18 21:08:18 -08:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
56909e88b1
implement accelerator introspection for GPU package
2021-01-11 17:03:23 -05:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
66c5fa2abd
Merge 'gpu_hip_port' into master
2020-01-28 20:35:08 +03:00
e832b5d50b
make clang++ happy when trying to compile the GPU library
2019-07-12 15:42:16 -04:00
8c3d18520d
add missing include needed on ppc64le
2019-06-26 10:45:31 -06:00
4a4297591e
Did some more cleanups
2019-04-17 12:04:31 -05:00
1f43efc111
Cleaned up the changes in Device and the base class of the pair styles
2019-04-17 00:09:49 -05:00
c55009a0ac
Enabled neighbor list build on the device with pair_style hybrid and hybrid/overlay
2019-04-16 23:30:25 -05:00
cd6b23d104
explicitly request OpenCL version 1.2 compatibility when compiling GPU package kernels for OpenCL
2019-03-22 09:50:31 -04:00
923ae041dc
(temporary) workaround for memory leaks with OpenCL and MPI for upcoming stable release
2018-07-23 15:52:42 -04:00
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
2f9e6d4566
Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole/long/gpu
2018-05-21 23:32:25 -05:00
e7e1827e57
remove variable length arrays in gpu lib
2018-05-08 00:48:53 -04:00
3394d18a2a
convert gpu lib to use c++-style include files
2018-05-08 00:25:10 -04:00
9656958169
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 23:27:26 +00:00
21f8abda24
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13906 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 15:15:32 +00:00
7510ec7960
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-29 15:47:24 +00:00
2ec1442e97
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12132 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-14 19:34:19 +00:00
67afd6fb68
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11660 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-20 14:50:49 +00:00
28194a14eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11335 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 23:53:12 +00:00
402d1a8605
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10667 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:41:20 +00:00
209999068c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8810 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-21 15:57:23 +00:00
31551d81fd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8693 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-21 13:57:32 +00:00
f3905bf229
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7989 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-28 22:10:48 +00:00
d30ba2d7eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7885 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-02 15:57:05 +00:00
6b1774dc20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7575 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-25 15:31:54 +00:00
d1f2eaeb4d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7284 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-02 16:12:34 +00:00
