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
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
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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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
71d111ccd9
get rid of 'using namespace std;'
2020-09-02 22:51:30 -04:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
83f81c42b9
Fix typo
2020-08-11 15:08:58 -04:00
175a6c26a7
Add Info::get_mpi_vendor() function
2020-08-10 19:02:39 -04:00
40a053000d
update output formatting of info command
2020-07-18 18:54:03 -04:00
edfb4076ff
remove dead code and unused variables
2020-06-30 16:32:30 -04:00
e4a3a518f7
more use of fmtlib and std::string
2020-06-25 22:50:38 -04:00
3e289bbc5e
fixup whitespace
2020-06-04 22:37:32 -04:00
ad15385f4c
convert code in Info to use {fmt} and string
2020-06-04 15:21:57 -04:00
fa2a6d7c6b
replace legacy preprocessor tests for linux with POSIX compliant ones
2020-05-03 01:04:52 -04:00
5eccaecf9b
use #include <cstdint> now that we require C++11
2020-04-21 19:31:57 -04:00
7a16567e2a
better version info output with intel compilers
2020-04-11 18:34:37 -04:00
c49310721c
Hide secret styles
2020-03-27 17:23:09 -04:00
758c812306
Allow query of available styles from lib interface
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Adds the following new library functions:
- lammps_has_style()
- lammps_style_count()
- lammps_stlye_name()
The Info class now also has the following member functions:
- Info::has_style()
- Info::get_available_styles()
2020-03-26 22:45:18 -04:00
5e983b899a
remove unused variable
2019-12-11 08:34:56 -05:00
876032b762
refactor MPI library info query so it can be added to -help flag output
2019-12-11 05:33:16 -05:00
6580700943
print C++ standard in use message with help page and "info config" command
2019-10-03 17:21:20 +02:00
d82ae64d16
minor tweak for consistency
2019-08-03 11:16:55 -04:00
2a74832a1e
protect MPI library version detection from incompatible MPI libraries
2019-08-01 07:04:24 -04:00
2d93a713e2
Merge branch 'master' into collected-small-changes
2019-07-30 14:14:11 -04:00
2e6850835f
Merge pull request #1542 from akohlmey/improve-include-consistency
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Improve Consistency of Include Statements (mostly complete)
2019-07-29 20:12:41 -04:00
94126e5424
use MPI_Get_library_version() API to provide a more detailed version info, not just the MPI standard level
...
very chatty output (e.g. from MPICH) is truncated to the next line after 80 characters.
2019-07-26 15:44:10 -04:00
c098582df8
refactor communication cutoff estimator. move it to Comm class. and adjust heuristics.
2019-07-24 17:27:35 -04:00
