e3b89b60dc
add checksum support for downloaded tar archives. upgrade to v2.4.3
2018-10-30 20:43:20 -04:00
044507640f
include Plumed.h with full path
2018-10-29 06:52:19 -06:00
283096d1d5
update .gitignore
2018-10-29 03:50:55 -04:00
360aca581c
remove last reference to voro++
2018-10-28 21:56:49 -04:00
bfbf5695fd
adjust path for includelink to find the Plumed.h wrapper properly
2018-10-28 21:30:37 -04:00
a60b6d1ab8
add feature to python lib install script to support existing installation and use links
2018-10-28 18:12:32 -04:00
ff9f836be4
Merge remote-tracking branch 'upstream/master'
2018-10-26 22:01:05 +01:00
f61f43a56b
Merge branch 'master' into kim-v2-update
2018-10-01 21:17:26 -05:00
634ed487a5
Use pkg-config to find kim-api-v2 library settings
2018-09-04 22:43:55 -05:00
ff2e13e063
Merge branch 'master' into ScaFaCoS
2018-09-04 21:35:46 -04:00
796b6b2d9c
Merge branch 'master' into kim-v2-update
2018-08-24 14:28:33 -05:00
89a3670fb5
merge master into cslib branch, update docs
2018-08-22 11:19:55 -06:00
c4b55385e2
doc updates
2018-08-22 10:40:39 -06:00
9a15d0bd83
Merge branch 'master' into scafacos
2018-08-22 09:25:29 -06:00
c719af8bcd
remove wrong link optimization flag
2018-08-20 13:42:34 -06:00
f73ffb829b
add a needed ifort flag for LAMMPS/LATTE link
2018-08-20 11:20:23 -06:00
d0667d21cc
Merge branch 'master' into kim-v2-update
2018-08-18 12:23:19 -05:00
ccacf0d4bb
Merge pull request #1048 from lammps/doc-reorg-start
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Documentation Refactoring: Section Start
2018-08-15 15:25:17 -06:00
9c3748e07c
change Python.txt to Python_head.txt, adapt GPU package syntax
2018-08-15 07:31:31 -06:00
ad9126f30e
Kokkos bugfix for building with cmake
2018-08-14 22:19:20 -04:00
7ec52784cb
more changes to doc pages and CMakeLists.txt
2018-08-14 15:44:25 -06:00
781ddc07c7
update to CSlib website link
2018-08-13 15:29:28 -06:00
65d11171c4
Replace functions which were deprecated since CUDA 5
2018-08-09 03:36:21 -04:00
6d60075d3b
GPU Package: Use __shfl_xor_sync starting with CUDA 9
2018-08-09 02:33:35 -04:00
fc93a79fdd
updated to support ScaFaCoS 1.0.1
2018-08-08 14:05:28 -06:00
76ad2b35a9
Merge remote-tracking branch 'origin/master' into ScaFaCoS
2018-08-08 09:53:32 -06:00
985318203d
Merge pull request #1038 from stanmoore1/issue-1037
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KOKKOS Package bugfix: Workaround for issue #1037
2018-08-08 08:42:21 -06:00
ac7aeb6862
Add extra check for OpenCL timers
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Fixes issue #1034 by preventing time() to access non-existent OpenCL events
2018-08-07 21:43:59 -04:00
953b283773
updated URL for tarball download
2018-08-06 15:59:46 -06:00
32917f4caa
Workaround for issue 1037
2018-08-06 10:50:06 -06:00
e8774dce97
removed thread restriction on make command, should make the building process faster
2018-08-03 11:31:11 -06:00
463e34cef5
Merge remote-tracking branch 'origin/master' into HEAD
2018-08-03 08:13:12 -06:00
efaebe0eb0
READMEs for USER-SCAFACOS completed
2018-08-02 13:44:12 -06:00
a8f0200fe9
Install.py works on dummy tar-ball
2018-07-31 13:33:10 -06:00
8d49d1a8c5
Merge pull request #1010 from lammps/latte-checksum
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new checksum for LATTE download
2018-07-25 08:42:35 -06:00
a4dbac63d3
more updates to the new MESSAGE package
2018-07-24 17:22:15 -06:00
1aa8307fa1
change CSlib files to BSD license
2018-07-24 12:04:23 -06:00
2f55981224
new MESSAGE package for client/server/coupling
2018-07-23 15:58:33 -06:00
923ae041dc
(temporary) workaround for memory leaks with OpenCL and MPI for upcoming stable release
2018-07-23 15:52:42 -04:00
40dcfa44c9
new checksum for LATTE download
2018-07-23 08:35:40 -06:00
6ab93b52bc
Merge remote-tracking branch 'lammps/master' into kim-v2-update
2018-07-23 09:30:43 -05:00
644888d03c
Fixed bugs with time_q and time_quat not calling start() and stop() when _charge and/or _rot in Atom are true for OpenCL builds
2018-07-22 15:12:45 -05:00
b612c7ee75
Fixed a copy-paste bug in lal_neighbor.cpp for neigh no
2018-07-22 13:15:01 -05:00
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
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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
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- 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
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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
