Commit Graph

17401 Commits

Author SHA1 Message Date
mkanski f2f49e60bf Make some errors more elaborate + change some error->all to error->one 2019-04-03 18:12:12 +02:00
Axel Kohlmeyer f73ccc3025
Merge pull request #1402 from akohlmey/collected-small-changes
Collected changes for improving CI testing, CMake, and coding convention compliance
2019-04-03 10:51:40 -04:00
Axel Kohlmeyer 1696432e82
resolve conflict between src/STUBS/mpi.h and lib/message/cslib/src/STUBS_MPI/mpi.h 2019-04-03 01:00:53 -04:00
Axel Kohlmeyer 7372e8fde1
must add STUBS_MPI to cslib includes when compiling without MPI 2019-04-03 00:41:03 -04:00
Axel Kohlmeyer f17aff6331
add some missing entries to src/USER-MISC/README 2019-04-03 00:24:36 -04:00
Axel Kohlmeyer 537704fdaa
eliminate the use of the "using" keyword in headers of the KOKKOS package 2019-04-03 00:13:52 -04:00
Axel Kohlmeyer 52a13f31b3
remove "using namespace" from header 2019-04-03 00:04:12 -04:00
Axel Kohlmeyer f02b364e6e
remove "using namespace" from header and include required header 2019-04-03 00:03:34 -04:00
Axel Kohlmeyer 40f1662c93
reduce compiler warnings 2019-04-02 23:44:00 -04:00
Axel Kohlmeyer 6cb120d691
get rid of "using" in USER-REAXC header 2019-04-02 23:20:53 -04:00
Axel Kohlmeyer a149fdb420
forgot MESSAGE package in all_on/off.cmake preset 2019-04-02 23:19:37 -04:00
Axel Kohlmeyer b1070f4703
must add USER-SCAFACOS to nolib.cmake preset, as it requires GSL 2019-04-02 23:10:59 -04:00
Axel Kohlmeyer 778537e734
update micelle example for improved reproducibility 2019-04-02 22:32:15 -04:00
Axel Kohlmeyer 921d3dadf8
Merge pull request #1400 from akohlmey/collected-small-changes
Refactor USER-INTEL support in CMake and support Linux-2-Windows cross-compiling with CMake
2019-04-02 17:48:21 -04:00
Axel Kohlmeyer bd923d8bd4
fix second typo in the same word. i need a break... :-( 2019-04-02 17:33:35 -04:00
Axel Kohlmeyer 6411ff8359
transfer MPI/OpenMP selection from LAMMPS to downloaded Plumed library configuration 2019-04-02 17:25:26 -04:00
Axel Kohlmeyer 4a003644fe
fix typo 2019-04-02 16:41:02 -04:00
Axel Kohlmeyer 365166fef0
print warning messages about calls to self only once 2019-04-02 16:01:42 -04:00
Axel Kohlmeyer 34b023456b
add message about -DLAMMPS_BIGBIG incompatibility of scatter/gather functions 2019-04-02 15:28:48 -04:00
Axel Kohlmeyer 978b52ee8c
add warning/status messages about skipping TBB malloc and MKL RNG 2019-04-02 15:06:56 -04:00
Axel Kohlmeyer 98bd720c68
improved formatting of cmake settings and presets related docs 2019-04-02 14:56:51 -04:00
Axel Kohlmeyer 4824992a1e
update documentation for recent changes to CMake presets 2019-04-02 14:31:13 -04:00
Axel Kohlmeyer 5a75125426
add some popular packages requiring libraries to most.cmake preset 2019-04-02 14:30:34 -04:00
Axel Kohlmeyer cb5c3f900e
add minimal.cmake and most.cmake presets 2019-04-02 12:41:12 -04:00
Axel Kohlmeyer 74ce164457
restore lost edit to all_on.cmake and all_off.cmake that syncs the list of packages 2019-04-02 12:06:51 -04:00
Axel Kohlmeyer 3eab343821
give access to LAMMPS object and wrap in macros for optional exception handling 2019-04-02 11:49:08 -04:00
Axel Kohlmeyer fd7c680654
the lammps_gather_atom*() and lammps_scatter_atom() library functions are not compatible with -DLAMMPS_BIGBIG. divert to dummy functions resulting in error exists. 2019-04-02 11:39:46 -04:00
Axel Kohlmeyer 764fb2522b
abort already in cmake when including USER-INTEL with -DLAMMPS_BIGBIG 2019-04-02 11:21:25 -04:00
Axel Kohlmeyer ef184c9b1b
remove presets, that try to mimic settings from the conventional build, but make little sense with cmake 2019-04-02 09:34:03 -04:00
Axel Kohlmeyer 0ab65c0343
update docs for building LAMMPS for windows 2019-04-02 07:12:55 -04:00
Axel Kohlmeyer 800f3a81b1
update documentation for changes in USER-INTEL support in CMake 2019-04-02 06:59:19 -04:00
Axel Kohlmeyer 91f3a94851
fix typo in docs 2019-04-02 05:49:25 -04:00
Risto Toijala d1cb8970d5 fix elstop: Remove unused includes 2019-04-02 09:29:27 +03:00
Dan S. Bolintineanu d3ea115436 Tweaks to doc page 2019-04-01 22:13:49 -06:00
Axel Kohlmeyer c044eeb482
update nolib.cmake and change it so it disables all packages requiring some external library or equivalent 2019-04-01 22:23:36 -04:00
Axel Kohlmeyer 2fc7395c14
add some comments to updated all-on / all-off presets 2019-04-01 22:22:31 -04:00
Axel Kohlmeyer 719a74a02f
must include omp.h header when using OpenMP API functions 2019-04-01 22:10:55 -04:00
Axel Kohlmeyer b1badb6555
update all-on and all-off presets for recently added and removed packages 2019-04-01 22:09:58 -04:00
julient31 0b8332cedf Commit2 JT 040119
- improved verbose output
- work on examples
2019-04-01 17:52:59 -06:00
Axel Kohlmeyer 200aa2d06f
missed a few packages in cross-compiler preset 2019-04-01 18:50:53 -04:00
Axel Kohlmeyer 3a0b108f91
reformat 2019-04-01 18:22:06 -04:00
julient31 677974573a Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin 2019-04-01 16:12:11 -06:00
Axel Kohlmeyer 76b848bb0a
include USER-INTEL, but need to disable support for LRT mode 2019-04-01 17:58:19 -04:00
julient31 a0e5d14990 Commit JT 040119
- corrected tangent vector projection
- output verbose (Gradidottan)
2019-04-01 15:53:36 -06:00
Axel Kohlmeyer 35129c0881
posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL 2019-04-01 17:51:53 -04:00
Axel Kohlmeyer 70ae5f41e3
tweaks for compiling USER-INTEL in cpu mode on Windows with GCC 2019-04-01 17:46:25 -04:00
Axel Kohlmeyer a7bb772db7
Merge branch 'refactor-user-intel-cmake' into collected-small-changes 2019-04-01 17:39:43 -04:00
Axel Kohlmeyer 8d8f0af7a6
add download flags to mingw preset 2019-04-01 17:38:53 -04:00
Axel Kohlmeyer d5aa60dbfe
skip inline function optimizations for windows when compiling with mingw 2019-04-01 17:23:27 -04:00
Axel Kohlmeyer b7aecc0d59
avoid linking with -ldl on windows, as it is not needed or supported 2019-04-01 17:22:53 -04:00