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
0a27b7065b
bug fixes: ScaFaCoS returns virial as 9-value array, requires copies to Lammps 6-value array; fixed error in compuation of per-atom energy calculation
2018-08-06 16:01:39 -06:00
953b283773
updated URL for tarball download
2018-08-06 15:59:46 -06:00
b97195d48f
CMake: download ScaFaCoS, compile and link it - required resorting, as Fortran MPI is required
2018-08-06 15:58:53 -06:00
4d75d2d611
more changes to ATM source and doc file
2018-08-06 20:49:05 +01:00
32917f4caa
Workaround for issue 1037
2018-08-06 10:50:06 -06:00
c1dffe40dc
Merge branch 'master' of https://www.github.com/lammps/lammps into port-enforce2d-kokkos
2018-08-06 10:25:22 -04:00
446a8da8e7
Commit before merge.
2018-08-06 10:25:12 -04:00
e88311235f
Merge pull request #1033 from lammps/doc-reorg-commands
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replace Section_commands.txt file
2018-08-06 08:20:59 -06:00
78bddacd88
Merge pull request #1032 from lammps/slope
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bug-fix for slope() function in variable
2018-08-06 08:20:32 -06:00
fba9f0aaae
Fix various links
2018-08-06 00:10:06 -04:00
6927ed5eb9
Fix pair body rounded polygon and polyhedron links
2018-08-06 00:01:38 -04:00
6de3dab72a
Remove duplicates
2018-08-05 23:59:52 -04:00
82744773b3
replace Section_commands.txt file
2018-08-03 16:04:54 -06:00
31c3c6c93e
Merge pull request #1031 from akohlmey/cmake-cross-linux-mingw
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Allow cross-compiling from linux to windows with cmake
2018-08-03 14:55:03 -06:00
382e3b08ac
Merge pull request #1028 from lammps/doc-reorg-intro-howto
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changes for Intro and Howto doc pages
2018-08-03 14:54:34 -06:00
94bf221258
implemented checks for unsupported solvers
2018-08-03 11:31:50 -06:00
e8774dce97
removed thread restriction on make command, should make the building process faster
2018-08-03 11:31:11 -06:00
5789ef9128
bug-fix for slope() function in variable
2018-08-03 10:08:02 -06:00
463e34cef5
Merge remote-tracking branch 'origin/master' into HEAD
2018-08-03 08:13:12 -06:00
cdd85b0749
Merge branch 'reax_dup' of ssh://github.com/stanmoore1/lammps into reax_dup
2018-08-03 07:37:49 -06:00
3e962c9729
Update from master
2018-08-03 07:37:18 -06:00
2321c8ff37
Merge remote-tracking branch 'origin/master' into doc-reorg-intro-howto
2018-08-03 00:12:58 -04:00
9cc75792d6
Update lammps.book
2018-08-02 23:29:29 -04:00
b2d1332d46
change proc count to color for MPI_Comm_split
2018-08-02 14:47:20 -06:00
