60c9477e96
Add option validation and remove extra variables in CMakeLists.txt
2018-08-15 10:50:51 -04:00
95bfc3b536
one more entry to lammps.book
2018-08-15 07:54:17 -06:00
1823fc2bd1
commands.txt -> commands_list.txt to avoid conflict with Commands.txt
2018-08-15 07:50:10 -06:00
6eededb190
one more tweak
2018-08-15 07:45:52 -06:00
6c90410260
one more file I forgot to commit
2018-08-15 07:44:36 -06:00
1f65150e16
60 -> sm_60 for GPU_ARCH
2018-08-15 07:34:20 -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
b72048097c
Correct Build_settings.txt
2018-08-14 22:17:40 -04:00
9526db44ce
Fix lammps.book and broken link
2018-08-14 22:10:08 -04:00
63f57bbece
small tweak on USER-INTEL section
2018-08-14 16:07:04 -06:00
7ec52784cb
more changes to doc pages and CMakeLists.txt
2018-08-14 15:44:25 -06:00
64d539d9d2
Disable sin/cos check in CMakeLists.txt since it breaks KOKKOS CUDA support
2018-08-14 11:56:57 -04:00
7ab11488d0
Added brief discussion on how to use presets files with CMake
2018-08-14 11:51:37 -04:00
3384c683df
Correct FFT_PACK in CMakeLists.txt
2018-08-14 11:41:22 -04:00
dde0974a1a
Update for corrected neighbor list hint
2018-08-13 22:34:42 -05:00
13bb02b100
Updated CMake build for USER-INTEL
...
- Removed differences between MAKE/OPTIONS/Makefile.intel_cpu/coprocessor and
CMake compilation and added INTEL_ARCH to select between CPU and KNL.
- Added some sanity checks for requirements
- Added FindTBB
2018-08-13 19:58:54 -04:00
781ddc07c7
update to CSlib website link
2018-08-13 15:29:28 -06:00
afbfaf0a8f
Change LAMMPS_SIZE_LIMIT to LAMMPS_SIZES and use lower case values
2018-08-13 15:53:50 -04:00
8634301b53
Limit depth of howto tocs
2018-08-13 11:48:32 -04:00
fef2b8260b
Correct CMake FFT settings in docs
...
The upper or lowercase matters. It won't work with lower case.
2018-08-13 11:46:46 -04:00
9765a9a430
Implementing forward/border comm in Kokkos.
2018-08-13 16:03:23 +01:00
6e8a68a420
fix a bunch of typos and broken links as detected by ebook-convert
2018-08-12 17:16:24 +02:00
11f04fde5c
fix typo
2018-08-12 16:44:31 +02:00
e01185c283
correct some errors and misconceptions about zlib and USER-OMP
2018-08-12 16:44:26 +02:00
907b061e0b
more updates to Build doc page
2018-08-10 15:04:33 -06:00
165fa01a97
Cleanup
2018-08-10 14:23:51 -06:00
8f665a5a0f
Update Kokkos docs for data duplication
2018-08-10 13:46:03 -06:00
6f1986a8f1
Small tweaks to Kokkos EAM
2018-08-10 13:10:02 -06:00
135b877161
Make sure -fPIC is passed to ExternalProject VORO if BUILD_SHARED_LIBS=on
2018-08-10 15:01:46 -04:00
eb4d586493
Remove duplicate if test in fix_qeq_reax_kokkos
2018-08-10 12:53:27 -06:00
9f058f19bc
Deallocate duplicated memory
2018-08-10 12:49:02 -06:00
44d7c79fdc
Merge branch 'master' of https://github.com/lammps/lammps into reax_dup
2018-08-10 12:33:28 -06:00
12ecc45b6a
Add data duplication to pair_snap_kokkos
2018-08-10 12:30:58 -06:00
ebc0abbb8d
Add data duplication to pair_eam_kokkos variants
2018-08-10 12:30:37 -06:00
faa21a0591
Add data duplication to pair_sw_kokkos
2018-08-10 12:30:17 -06:00
d9fb37e25e
Add data duplication to pair_tersoff_kokkos and variants
2018-08-10 12:30:03 -06:00
120fdbb9fc
Add data duplication to pair_eam_kokkos
2018-08-10 10:53:22 -06:00
28c03e4518
Merge pull request #1046 from rbberger/gpu_fix_deprecated
...
Replace deprecated CUDA functions calls in GPU package
2018-08-10 09:30:02 -06:00
b33452040a
correct FFT definitions in docs and make -DFFT_KISSFFT explicit in CMake
2018-08-10 17:27:40 +02:00
ddd8533d81
make -DLAMMPS_MEMALIGN optional in CMake by checking of 0 alignment. also some rewording.
...
this changes the CMake configuration file.
also, the special case of Windows not supporting posix_memalign() is documented.
some more explanations for FFTs and memory alignment are added
2018-08-10 16:33:20 +02:00
bc8939a08b
more corrections/rewrites/additions for OpenMP, QM/MM and USER-QUIP
2018-08-10 15:55:32 +02:00
f67b198c24
discourage the use of MEAM and REAX, which have been supersede by USER-MEAMC and USER-REAXC
2018-08-10 13:04:31 +02:00
13d1f26a0f
provide additional information about building QM/MM with QE
2018-08-10 12:15:49 +02:00
8318b96c11
update OpenMP support info in build basics
2018-08-10 11:54:51 +02:00
0b523cb48e
some rewording and updates for the traditional and cmake documentation
2018-08-10 11:38:59 +02:00
b0183de7ca
Merge branch 'master' into reax_dup
2018-08-09 17:11:26 -06:00
76289cd955
Add LAMMPS shared library instructions for CMake
2018-08-09 17:50:55 -04:00
edb535d36f
Fix some of the missing TODOs in cmake docs
2018-08-09 17:21:00 -04:00
4db08f5351
Some tweaks and corrections
2018-08-09 16:02:54 -04:00
