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a1e0341d8c
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detect and update output for OpenMP version 5.1
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2021-08-24 23:01:43 -04:00 |
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e29bd3d157
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update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
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2021-08-06 14:07:43 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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b8236c6402
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improve error messages by printing unrecognized property
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2021-06-08 11:19:21 -04:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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aa6c6169a8
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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
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2021-05-14 15:24:02 -04:00 |
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9ef0395313
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whitespace fixes
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2021-05-12 06:30:52 -04:00 |
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f0e52981f2
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Merge branch 'master' into multi_epcc
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2021-05-12 06:16:52 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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51847f70f2
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Use fmt::localtime() in info.cpp
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2021-05-10 18:42:26 -04:00 |
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a687868c69
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finalize available GPU hardware introspection functions
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2021-05-10 16:34:27 -04:00 |
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fbdcfb2f72
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preliminary interface to detect whether a viable GPU is present
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2021-05-10 09:16:51 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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f12f9166a5
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Resolving merge conflicts, updating URLs
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2021-05-05 11:19:44 -06:00 |
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8e2ecbc7ac
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detect Linux distribution, if possible and include in OS info output
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2021-05-03 12:12:15 -04:00 |
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f759e6ffcf
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don't implicitly assume an undefined define equals 0
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2021-04-23 15:51:43 -04:00 |
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65cef12ae2
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print compiled in accelerator configuration with ./lmp -h
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2021-04-22 16:10:51 -04:00 |
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fab571cf6b
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IWYU reported header updates
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2021-04-13 00:47:49 -04:00 |
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d54384dd91
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Merge branch 'master' into multi_epcc
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2021-04-07 16:34:01 -06:00 |
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85d1257222
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move redundant enumerator to Variable class definition in variable.h
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2021-03-23 21:41:50 -04:00 |
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692802921d
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Add SYCL output to info command
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2021-03-18 14:28:47 -04:00 |
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3304dfcbfe
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don't output null pointers as strings with fmtlib in variable info list
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2021-03-16 13:31:56 -04:00 |
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6a67df7ebc
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fix typo
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2021-03-15 00:34:06 -04:00 |
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88c6e5cb31
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correctly identify new Intel compiler. mark old Intel compiler as "classic"
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2021-03-15 00:32:31 -04:00 |
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097eebaa36
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use __INTEL_LLVM_COMPILER macro to detect new intel compilers as intel, not clang
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2021-03-15 00:25:29 -04:00 |
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8c4918457f
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consistently compare atom->molecular against enumerator constants
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2021-03-14 01:25:22 -05:00 |
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d36df19a2d
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Use mallinfo2 with glibc >= 2.33
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2021-02-19 13:22:35 -05:00 |
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58e4938b0f
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Updating examples, updating multi in info, fixing memory issues in comm/neighbor
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2021-02-08 10:50:57 -07:00 |
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1cdce9233e
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identify offloading to Xeon Phi accelerator coprocessors
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2021-01-16 01:07:44 -05:00 |
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99ae866973
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add Kokkos introspection. correct package names.
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2021-01-16 00:57:46 -05:00 |
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22bf810b63
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recover current package names. this will become simpler once #2525 is implemented
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2021-01-12 20:23:57 -05:00 |
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2b1a93bd15
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expand accelerator output options
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2021-01-11 23:18:10 -05:00 |
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56909e88b1
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implement accelerator introspection for GPU package
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2021-01-11 17:03:23 -05:00 |
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c5298c24be
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start creating API for querying accelerator package features
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2021-01-11 11:08:22 -05:00 |
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51a20175c9
|
more code formatting consistency changes for loops and conditionals
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2020-12-30 09:47:45 -05:00 |
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382ade15fe
|
more consistent formatting of for/while loops and if statements
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2020-12-30 09:09:08 -05:00 |
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8fc2c13f8d
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add PGI compiler version detection
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2020-12-15 20:47:20 -05:00 |
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f70775bd52
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cannot determine communication without a box
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2020-10-26 18:49:30 -04:00 |
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9e0062a9ef
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we have a new map style when using atom style template
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2020-10-23 21:50:38 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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a6df6cf84c
|
fix format
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2020-10-11 23:18:03 -04:00 |
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bfcb78d5d7
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fix bug with string passing
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2020-10-09 01:42:48 -04:00 |
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0891a8ce7d
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better MPI version detection.
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2020-10-07 18:37:09 -04:00 |
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4c51a8ae57
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move version and num_ver from Universe to LAMMPS and make num_ver an int
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2020-09-19 11:37:08 -04:00 |
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0f6a34775c
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 17:44:31 -04:00 |
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cebf6d33ba
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Merge pull request #2358 from eagunn/iss2345
Replace instances of NULL with nullptr
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2020-09-15 17:41:24 -04:00 |
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618b08dcfc
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 14:58:13 -04:00 |
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4b64be77e0
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consolidate memory allocation information into a single function (in Info)
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2020-09-15 01:59:58 -04:00 |
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0183e999c9
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consistently return "memory_usage" as double.
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2020-09-15 01:59:58 -04:00 |
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