e29bd3d157
update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
2021-08-06 14:07:43 -04:00
878795e64a
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
1dc25b0e10
rename USER-OMP to OPENMP
2021-06-29 17:48:22 -04:00
b8236c6402
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
aa6c6169a8
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/KOKKOS/nbin_kokkos.h
# src/KOKKOS/nbin_ssa_kokkos.h
# src/MOLECULE/bond_fene_expand.h
# src/USER-DPD/nbin_ssa.h
# src/USER-DPD/nstencil_half_bin_2d_ssa.h
# src/USER-DPD/nstencil_half_bin_3d_ssa.h
# src/USER-INTEL/nbin_intel.h
# src/USER-MISC/fix_propel_self.cpp
# src/USER-OMP/npair_full_multi_old_omp.h
# src/USER-OMP/npair_half_multi_old_newton_omp.h
# src/USER-OMP/npair_half_size_multi_newtoff_omp.h
# src/USER-OMP/npair_halffull_newtoff_omp.h
# src/USER-OMP/npair_halffull_newton_omp.h
# src/USER-OMP/npair_skip_omp.h
# src/main.cpp
# src/nbin_standard.h
# src/npair_full_multi_old.h
# src/npair_halffull_newtoff.h
# src/npair_halffull_newton.h
# src/npair_skip.h
# src/npair_skip_respa.h
# src/npair_skip_size.h
# src/npair_skip_size_off2on.h
# src/npair_skip_size_off2on_oneside.h
# src/nstencil_full_bin_2d.h
# src/nstencil_full_bin_3d.h
# src/nstencil_full_ghost_bin_2d.h
# src/nstencil_full_ghost_bin_3d.h
# src/nstencil_full_multi_2d.h
# src/nstencil_full_multi_3d.h
# src/nstencil_full_multi_old_2d.h
# src/nstencil_full_multi_old_3d.h
# src/nstencil_half_bin_2d_newtoff.cpp
# src/nstencil_half_bin_3d_newtoff.cpp
# src/nstencil_half_bin_3d_newton_tri.h
# src/nstencil_half_ghost_bin_2d_newtoff.cpp
# src/nstencil_half_ghost_bin_2d_newtoff.h
# src/nstencil_half_ghost_bin_3d_newtoff.cpp
# src/nstencil_half_ghost_bin_3d_newtoff.h
# src/nstencil_half_multi_2d.h
# src/nstencil_half_multi_2d_newtoff.h
# src/nstencil_half_multi_2d_newton_tri.h
# src/nstencil_half_multi_2d_tri.h
# src/nstencil_half_multi_3d_newtoff.h
# src/nstencil_half_multi_3d_newton_tri.h
2021-05-14 15:24:02 -04:00
9ef0395313
whitespace fixes
2021-05-12 06:30:52 -04:00
f0e52981f2
Merge branch 'master' into multi_epcc
2021-05-12 06:16:52 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
51847f70f2
Use fmt::localtime() in info.cpp
2021-05-10 18:42:26 -04:00
a687868c69
finalize available GPU hardware introspection functions
2021-05-10 16:34:27 -04:00
fbdcfb2f72
preliminary interface to detect whether a viable GPU is present
2021-05-10 09:16:51 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
f12f9166a5
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
8e2ecbc7ac
detect Linux distribution, if possible and include in OS info output
2021-05-03 12:12:15 -04:00
f759e6ffcf
don't implicitly assume an undefined define equals 0
2021-04-23 15:51:43 -04:00
65cef12ae2
print compiled in accelerator configuration with ./lmp -h
2021-04-22 16:10:51 -04:00
fab571cf6b
IWYU reported header updates
2021-04-13 00:47:49 -04:00
d54384dd91
Merge branch 'master' into multi_epcc
2021-04-07 16:34:01 -06:00
85d1257222
move redundant enumerator to Variable class definition in variable.h
2021-03-23 21:41:50 -04:00
692802921d
Add SYCL output to info command
2021-03-18 14:28:47 -04:00
3304dfcbfe
don't output null pointers as strings with fmtlib in variable info list
2021-03-16 13:31:56 -04:00
6a67df7ebc
fix typo
2021-03-15 00:34:06 -04:00
88c6e5cb31
correctly identify new Intel compiler. mark old Intel compiler as "classic"
2021-03-15 00:32:31 -04:00
097eebaa36
use __INTEL_LLVM_COMPILER macro to detect new intel compilers as intel, not clang
2021-03-15 00:25:29 -04:00
8c4918457f
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
d36df19a2d
Use mallinfo2 with glibc >= 2.33
2021-02-19 13:22:35 -05:00
58e4938b0f
Updating examples, updating multi in info, fixing memory issues in comm/neighbor
2021-02-08 10:50:57 -07:00
1cdce9233e
identify offloading to Xeon Phi accelerator coprocessors
2021-01-16 01:07:44 -05:00
99ae866973
add Kokkos introspection. correct package names.
2021-01-16 00:57:46 -05:00
22bf810b63
recover current package names. this will become simpler once #2525 is implemented
2021-01-12 20:23:57 -05:00
2b1a93bd15
expand accelerator output options
2021-01-11 23:18:10 -05:00
56909e88b1
implement accelerator introspection for GPU package
2021-01-11 17:03:23 -05:00
c5298c24be
start creating API for querying accelerator package features
2021-01-11 11:08:22 -05:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
8fc2c13f8d
add PGI compiler version detection
2020-12-15 20:47:20 -05:00
f70775bd52
cannot determine communication without a box
2020-10-26 18:49:30 -04:00
9e0062a9ef
we have a new map style when using atom style template
2020-10-23 21:50:38 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
a6df6cf84c
fix format
2020-10-11 23:18:03 -04:00
bfcb78d5d7
fix bug with string passing
2020-10-09 01:42:48 -04:00
0891a8ce7d
better MPI version detection.
2020-10-07 18:37:09 -04:00
4c51a8ae57
move version and num_ver from Universe to LAMMPS and make num_ver an int
2020-09-19 11:37:08 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
...
Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
618b08dcfc
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
4b64be77e0
consolidate memory allocation information into a single function (in Info)
2020-09-15 01:59:58 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
