Commit Graph

143 Commits

Author SHA1 Message Date
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
# 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
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
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
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
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
44841f6891 fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 2017-03-23 15:31:27 -06:00
35753b8f08 add error location propagation to force->bounds() and force->boundsbig() 2016-10-26 15:53:02 -04:00
558303072d sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15597 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-20 14:52:43 +00:00
c95ec24d1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15387 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-28 13:51:40 +00:00
0f3e4182e8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-06 23:21:39 +00:00
784d8cc2f8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14755 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-21 15:55:33 +00:00
70aa37e4c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:26:57 +00:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
4bd3fe89c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13971 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-29 22:03:12 +00:00
3841dd58ca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13931 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-21 22:55:12 +00:00
4a0ba2126e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13019 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-02 21:37:12 +00:00