943a187be7
Renamed to multi2, initial stencil edits
2020-11-10 16:39:56 -07:00
12288630f5
Fixing comm and renaming bytype
2020-11-09 16:32:11 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
b1b014aed3
Fixing merge conflicts
2020-10-02 15:09:47 -06:00
93a0d4c096
fix up some comments
2020-09-12 14:26:34 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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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
390c6ba106
rechecking some corefiles with IWYU after the many updates
2020-09-03 15:28:07 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
9ceb0fd6a0
update output formatting and send all to screen and log
2020-07-22 22:51:47 -04:00
3cdf0e286e
add comments to explain why 1 item is added to rendezvous buffers.
2020-06-19 12:32:11 -04:00
0249cf7510
better and more general version of the previous commit
2020-06-19 01:10:45 -04:00
a4de04d823
make certain that allocated buffers in Comm::rendezvous_all2all() are not NULL
2020-06-19 00:44:09 -04:00
9ca0d01a5b
silence compiler warnings
2020-06-11 19:05:06 -04:00
5c1236084c
correctly compute the size of the maxexchange buffer. we put all fixes into one buffer.
2020-06-07 14:37:20 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
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# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
923e740872
get rid of more BIGINT_FORMAT macros
2020-06-04 22:07:47 -04:00
75e4cff44a
simplify communication cutoff warnings
2020-06-04 11:13:21 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
946bd8f3c0
print warning about adjusting the communication cutoff only during integrator or minimizer setup phase
2020-01-20 16:23:26 -05:00
3cb26e576d
make sure communication buffers are fully initialized
2020-01-15 13:47:01 -05:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
11a3fd6ce4
Merge pull request #1556 from lammps/bug-maxexchange
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more robust version of atom exchange size
2019-07-30 17:09:18 -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
fe83e4de2e
revise logic and documentation of communication cutoff selection one more time
2019-07-25 16:00:01 -04:00
4586fd50af
adjust logic for choosing the communication cutoff to requests from @sjplimp
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limit cases where warning about adjusting the comm cutoff is printed.
2019-07-25 08:33:21 -04:00
d08477cc5f
print warning, when explicitly specified communication cutoff is increased
2019-07-24 17:49:00 -04:00
c098582df8
refactor communication cutoff estimator. move it to Comm class. and adjust heuristics.
2019-07-24 17:27:35 -04:00
2fd327d057
more robust version of atom exchange size
2019-07-09 16:17:54 -06:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
932f052cbf
more header cleanup
2019-06-27 20:52:23 -04:00
73fa8d4055
Rename Kokkos variables
2019-06-07 16:30:02 -06:00
ff819be807
more 'war on tabs'
2019-03-29 10:21:44 -04:00
8ba1d76055
some dead code removal and more whitespace cleanup
2019-03-27 05:38:41 -04:00
fff28a8666
remove trailing whitespace
2019-03-26 11:17:21 -04:00
0bf6b91576
bug fix for new fix shake redezvous comm
2019-03-26 11:01:39 -04:00
62045a9c52
cleanup up rendezvous diagnostic output
2019-03-26 11:01:38 -04:00
bbe6c9bb63
added diagnostic info for memory and balance info
2019-03-26 11:01:38 -04:00
fc002e30d3
added rendezvous via all2all
2019-03-26 11:01:38 -04:00
17817fc290
less comm version of special bonds rendezvous
2019-03-26 11:01:38 -04:00
3f9d59294e
replace STL map with atom->map in special, better code comments
2019-03-26 11:01:37 -04:00
9912c44413
rendevous comm option for special bonds and fix rigid/small
2019-03-26 11:01:33 -04:00
71e1867dd2
move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
2018-05-10 00:50:20 -04:00
71fce2e413
move enum{SINGLE,MULTI} and enum{MULTIPLE} to Comm in comm.h
2018-05-09 23:57:24 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
948f4783aa
ring communication *is* called with outbut set to NULL, so don't error out on that.
2018-02-24 17:17:45 +01:00
fb6e7e8aea
add sanity checks for ring communication
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we do not call memcpy() unless nbytes != 0 and source/target pointer is not NULL
we error out on illegal combinations of nbytes and inbuf/outbuf
2018-02-24 16:41:10 +01:00
fcc387f232
change ring communication API to no longer require a static variable pointing to 'this' of the caller
2017-06-14 17:01:06 -04:00
