dedb247fcd
anticipate patches from upstream to 12 Aug 2013 version
2013-07-30 10:12:29 +02:00
39f16dc386
put a barrier before MPI_Finalize() to protect against bad MPI libs.
2013-07-30 10:03:02 +02:00
b10e12e114
dump image has to open files in binary mode on windows
2013-07-29 12:21:21 +02:00
32c9412952
document -nocite / -nc command line switch
2013-07-28 23:25:06 +02:00
7d838f00b7
add likely installation dir for MPICH2 to %PATH
2013-07-28 23:18:32 +02:00
82b6409fea
detailed timings don't seem to work for TAD
2013-07-28 23:13:02 +02:00
2a23ee79ec
since we have extra timer slots we can now print the section breakdown
2013-07-28 22:25:08 +02:00
f47f1bdb22
remove redundant code
2013-07-28 22:10:14 +02:00
454b9f1f44
use additional slots in timer storage for replica methods
2013-07-28 22:09:55 +02:00
2b6468d976
more timer tweaks and simplifications
2013-07-28 18:08:24 +02:00
f33aa0ad2d
convert to using the Timer class in ThrData instead of rolling out own
2013-07-28 14:58:05 +02:00
9bc1739d16
forgot one set of gpu accelerated dipole potentials
2013-07-28 13:33:29 +02:00
d48d0c3e1d
more files to ignore
2013-07-28 11:58:44 +02:00
a2f4c82e3d
MPI timing breakdown now complete with variance of average
2013-07-28 08:14:07 +02:00
b1c3521471
left align loop summary output
2013-07-28 07:48:09 +02:00
e43eb3c7ed
unused variables
2013-07-28 07:30:49 +02:00
079a3196ac
add flag to disable writing log.cite
2013-07-28 07:30:40 +02:00
c1791fc96d
add support for a RESET operation
2013-07-27 23:25:17 +02:00
df889fe40c
add tags for replica method timers
2013-07-27 23:12:46 +02:00
f04b1c22d3
more refactoring for cleaner output
2013-07-27 23:12:22 +02:00
6bd977ceea
refactor summary timing. always compute CPU use for Loop time.
2013-07-27 22:19:48 +02:00
7f22f5c5ca
include reference for colvars
2013-07-27 13:25:47 +02:00
897c3be1ab
re-instate new timer interface
2013-07-27 12:36:17 +02:00
9550535392
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
lib/cuda/Makefile.lammps
src/GPU/fix_gpu.cpp
2013-07-27 12:34:08 +02:00
8b6141dad0
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps-icms
2013-07-27 12:24:01 +02:00
f7711a403d
some more refactoring and bugfixing for better output
2013-07-27 12:21:54 +02:00
7cc46a3407
fix typo
2013-07-27 11:56:41 +02:00
f521824833
add two example citations for the new scheme
2013-07-27 11:56:33 +02:00
bf68ab6e3b
remove references to old-style citeme calls
2013-07-27 11:56:14 +02:00
be2777dbf5
remove citation strings
2013-07-27 11:41:58 +02:00
6f99077202
refactor citeme class
...
instead of writing to screen/logfile we write to log.cite and the references are stored as static const strings in the respective classes. the screen/logfile output only has a pointer to that file.
2013-07-27 11:10:33 +02:00
900fd63de1
remove citeme command
2013-07-27 11:08:26 +02:00
9f10e0b68e
update list of documentation files
2013-07-27 10:25:51 +02:00
e4db224843
remove obsolete files
2013-07-27 10:23:41 +02:00
9e639c529d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 21:54:21 +00:00
f59e0be85c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10456 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 21:00:42 +00:00
43154de326
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 21:00:42 +00:00
53eea64571
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10454 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 20:56:54 +00:00
e2354fbd7f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 20:36:29 +00:00
8835effbfa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10451 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 20:36:28 +00:00
b4608b636e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 20:27:48 +00:00
e207ab1993
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10439 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 17:08:56 +00:00
23529a8d6e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10438 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 17:07:14 +00:00
5abaf69425
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10436 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 17:01:21 +00:00
cc4ff51a87
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10435 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 17:01:21 +00:00
9b8196cc95
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10433 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 16:58:07 +00:00
d54ed85f75
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10432 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 16:58:02 +00:00
fa35c123f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10431 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 16:57:44 +00:00
4aecc6eaf0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10430 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-26 16:53:49 +00:00
677384427d
add documentation for timers command
2013-07-26 18:44:32 +02:00
