630a46ad67
Move Manual_version to Intro
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It should not be its own chapter. The intro seems to be the right place for it.
2018-08-09 14:53:40 -04:00
aca9416c7f
Merge branch 'master' into doc-reorg-start and resolve merge conflicts with master
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Conflicts:
doc/src/Speed_kokkos.txt
doc/src/package.txt
2018-08-09 20:18:12 +02:00
f7164e593e
fix a few more broken or non-unique links
2018-08-09 20:09:11 +02:00
a5170e93ec
fix a bunch more broken, duplicate links and misformatted text
2018-08-09 19:46:25 +02:00
108f2d0ed7
Merge branch 'collected-small-changes' into doc-reorg-start
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Resolved Conflicts:
doc/src/Packages_details.txt
doc/src/Python_shlib.txt
doc/src/fix_manifoldforce.txt
2018-08-09 18:48:11 +02:00
6663fbeb11
Merge pull request #928 from akohlmey/fix-rcb-balance-issue
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Fix rcb balance issue
2018-08-09 10:24:38 -06:00
cfc1b3a823
more changes induced by removing Section_start.txt
2018-08-09 10:20:02 -06:00
c97e6537c8
changes to replace Section_start.txt
2018-08-09 10:19:10 -06:00
9dde50a4f2
Merge pull request #1042 from akohlmey/kokkos-vs-gpu-direct
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Kokkos vs gpu direct
2018-08-09 09:25:24 -06:00
08636889ca
Merge pull request #1043 from lammps/compute-cluster-atom
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bug fix for compute cluster/atom when computing values used to update…
2018-08-09 09:15:09 -06:00
bb25e5d98a
adjust header levels for Tools section
2018-08-09 17:13:07 +02:00
8e9ea1e4fa
formatting tweak for Build the manual page
2018-08-09 17:13:07 +02:00
f4ea28cd32
update src/lammps.book file with missing entries
2018-08-09 17:13:07 +02:00
1604f011d2
fix a couple more broken links
2018-08-09 17:13:07 +02:00
a065143723
create missing "Build_manual.txt" file from 'doc/README'
2018-08-09 17:13:07 +02:00
df20fbbca4
fix a bunch of broken linke or make links unique across files
2018-08-09 17:13:07 +02:00
a97ad15d22
update .gitignore
2018-08-09 17:13:06 +02:00
d5594350c4
change zero-size shrink box to original box
2018-08-09 08:50:11 -06:00
9521814441
rename Kokkos::gpu_direct to Kokkos::gpu_direct_flag
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This is for consistency with other parts of LAMMPS where
such variables have "flag" in their name. Also reduces
confusion with have_gpu_direct() function.
When we can safely detect, that GPU-direct is not available,
change the default setting of Kokkos::gpu_direct_flag from 1 to 0
2018-08-09 04:52:58 -04:00
dd9fed11dc
use '-pk kokkos gpu/direct on/off' consistently in comments and docs
2018-08-09 04:16:22 -04:00
65d11171c4
Replace functions which were deprecated since CUDA 5
2018-08-09 03:36:21 -04:00
01b8134746
Small tweak to GPU direct not available warning
2018-08-09 09:35:11 +02:00
6d60075d3b
GPU Package: Use __shfl_xor_sync starting with CUDA 9
2018-08-09 02:33:35 -04:00
32658c20d4
Fix typo in gridcomm_kokkos
2018-08-08 17:07:12 -06:00
1c550d8f39
Change defaults for GPU-direct to use comm host
2018-08-08 16:46:36 -06:00
d8aa6d534b
Remove hardcoded GPU-direct in KOKKOS package
2018-08-08 16:09:41 -06:00
e08aaa7e39
added examples for P3M with ScaFaCoS
2018-08-08 15:03:47 -06:00
2a5e550bda
updated log files
2018-08-08 15:02:19 -06:00
fc93a79fdd
updated to support ScaFaCoS 1.0.1
2018-08-08 14:05:28 -06:00
7f5476b408
removed deprecated log files (will be replaced with more current ones)
2018-08-08 14:04:41 -06:00
64cd37b6ed
Merge branch 'master' of https://www.github.com/lammps/lammps into port-enforce2d-kokkos
2018-08-08 11:56:28 -04:00
76ad2b35a9
Merge remote-tracking branch 'origin/master' into ScaFaCoS
2018-08-08 09:53:32 -06:00
74633ce28f
fixed merge conflict
2018-08-08 09:53:27 -06:00
9202896e75
bug fix for compute cluster/atom when computing values used to update a dynamic group
2018-08-08 09:31:16 -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
ff87cdb8f4
Merge pull request #1041 from rbberger/fix_gpu_segfault
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Add extra check for OpenCL timers
2018-08-08 08:41:32 -06:00
a3fad229ab
Merge pull request #1040 from lammps/natom
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enable more correct natoms computation when atoms are lost
2018-08-08 08:41:15 -06:00
fac5e29f48
Merge pull request #994 from danicholson/user-uef-image-flags
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USER-UEF support for image flags
2018-08-08 08:40:56 -06:00
64e152bced
add some notes about GPU-direct support requirements to the manual
2018-08-08 14:25:49 +02:00
5d87e0c651
add wrapper for MPI implementation specific GPU-direct detection
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this adds a local wrapper function have_gpu_direct(), that informs about
the support for GPU-direct, if possible and add a warning message in case
it cannot be detected or is not available and using more than 1 MPI rank.
2018-08-08 13:57:41 +02:00
3d537850fd
make communication settings consistent, in case the package command is used multiple times.
2018-08-08 10:20:24 +02:00
b6c458192c
reword misleading message about GPU usage
2018-08-08 10:19:48 +02:00
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
d27215b7e1
enable more correct natoms computation when atoms are lost
2018-08-07 15:05:07 -06:00
48fd8b46ee
cleaned documentation, added p3m entry for allowed tolerance type
2018-08-07 15:04:37 -06:00
eb86ec3eea
added support for p3m, added check for compatible tolerance / method combinations (should they not be caught by ScaFaCoS itself)
2018-08-07 15:03:48 -06:00
cdde51d8af
fixed example so that P3M also works, changed tolerance type in the FMM example
2018-08-07 14:29:04 -06:00
a944d1c913
fixed missing REQUIRED and introduced the compilation of internal sub-libraries (FFTW,PFFT,PNFFT)
2018-08-07 14:26:53 -06:00
bf2a942f36
Merge branch 'master' into reax_dup
2018-08-07 13:18:45 -06:00
ba693a74be
Add contribute method to pair_table_kokkos
2018-08-07 12:27:32 -06:00
