lammps/srclammm-master
lammps/src
lammm-master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
b9bcc2514097 | Axel Kohlmeyer | complete rewrite of lj/sdk. compiles, runs, test ok. | Oct 28 2011 | |||
d4e11b033adb | Axel Kohlmeyer | Merge branch 'master' into openmp-master | Oct 27 2011 | |||
48ebc33f7139 | Axel Kohlmeyer | more files to ignore | Oct 27 2011 | |||
c8aad060bea5 | Axel Kohlmeyer | more detailed and readable timing output with min/max added for use with load… | Oct 27 2011 | |||
3e857cd7cf73 | Axel Kohlmeyer | make consistent with svn repo | Oct 27 2011 | |||
049c0fc05043 | Axel Kohlmeyer | fix bug with hidden sharing of a variable | Oct 26 2011 | |||
b3018aab48b4 | Axel Kohlmeyer | Merge branch 'master' into openmp-master | Oct 26 2011 | |||
600c945ee951 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7211 f3b2605a-c512-4ea7… | Oct 26 2011 | |||
c6ab9c0ce614 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7209 f3b2605a-c512-4ea7… | Oct 26 2011 | |||
9e2f81e4ed4a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7208 f3b2605a-c512-4ea7… | Oct 26 2011 | |||
ac30ed30e3d3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7204 f3b2605a-c512-4ea7… | Oct 26 2011 | |||
a0e2e04aed5d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7202 f3b2605a-c512-4ea7… | Oct 26 2011 | |||
3c110b35da7c | Axel Kohlmeyer | more files to ignore | Oct 26 2011 | |||
997b9b04e571 | Axel Kohlmeyer | add template for lj/sdk re-implementation | Oct 26 2011 | |||
95725754c904 | Axel Kohlmeyer | expand the check for the "last omp style" to cover hybrid styles | Oct 25 2011 | |||
8427e1ce0fad | Axel Kohlmeyer | change add_pages() to include PGDELTA according to steve's wishes | Oct 25 2011 | |||
667fde6a9e91 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7199 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
8a24e16c9123 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7197 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
cbbb66194ceb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7196 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
51aef530dedd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7195 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
9e9dcf4f3bf0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7193 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
895680bd32e0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7192 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
f9847d811110 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7191 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
c8a544cbaed8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7190 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
fdba4b962b7b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7189 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
f4aa73f5d532 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7188 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
b5d15e114ab3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7187 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
424fd114d75f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7185 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
5a3a2985a556 | Axel Kohlmeyer | improve detection of style which needs to do force reduction | Oct 25 2011 | |||
2318a7e791bd | Axel Kohlmeyer | fix dual definition resulting from merge | Oct 25 2011 | |||
770a97aaac4c | Axel Kohlmeyer | remove lubricate/omp class since lubricate is gone, too | Oct 25 2011 | |||
3295bdbec039 | Axel Kohlmeyer | Merge branch 'openmp-next-merge' into openmp-master | Oct 25 2011 | |||
9c5ad7cf3355 | Axel Kohlmeyer | Merge branch 'master' into openmp-next-merge | Oct 25 2011 | |||
d3727b581bfb | Axel Kohlmeyer | remove unused variable | Oct 25 2011 | |||
3e478bc98048 | Axel Kohlmeyer | more files to ignore | Oct 25 2011 | |||
15b662013395 | Axel Kohlmeyer | rename ThrData::init_clear() to ThrData::init_force() add reduction of per atom… | Oct 25 2011 | |||
49b687bafe63 | Axel Kohlmeyer | support reduction of per atom energy and stress | Oct 25 2011 | |||
d09892f63288 | Axel Kohlmeyer | add .gitignore files to distribution | Oct 25 2011 | |||
a7206ee37a0b | Axel Kohlmeyer | support memalign in make files | Oct 25 2011 | |||
d03211a9fa45 | Axel Kohlmeyer | integrate posix_memalign() support. | Oct 25 2011 | |||
852657f2841f | Axel Kohlmeyer | correct install/update scripts for USER-OMP | Oct 24 2011 | |||
c6bbdcfbf2af | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7… | Oct 24 2011 | |||
56c38528ed63 | Axel Kohlmeyer | Merge branch 'airebo-fixup' into openmp-step7 | Oct 24 2011 | |||
99f3957cf202 | Axel Kohlmeyer | updated and optimized version of airebo potentials | Oct 24 2011 | |||
11806a92a1df | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7182 f3b2605a-c512-4ea7… | Oct 24 2011 | |||
f3018d53bb32 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7180 f3b2605a-c512-4ea7… | Oct 24 2011 | |||
cb5b707c7408 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7177 f3b2605a-c512-4ea7… | Oct 24 2011 | |||
b0639081bafc | Axel Kohlmeyer | Merge branch 'load-balance' into openmp-step7 | Oct 24 2011 | |||
245d6ac30c61 | Axel Kohlmeyer | support dimensions with just one processor remove useless arguments from class… | Oct 23 2011 | |||
f55d42f2a17c | Axel Kohlmeyer | Merge branch 'load-balance' into openmp-step7 | Oct 23 2011 | |||
101e045b1515 | Axel Kohlmeyer | update load balancing code to new error handling API | Oct 23 2011 | |||
914f1873cdd6 | Axel Kohlmeyer | merge in loadbalancing code from christoph kloss | Oct 23 2011 | |||
aa5daaff3501 | Axel Kohlmeyer | single out assorted bugfixes and changes that should be sent to steve before… | Oct 22 2011 | |||
dd191f4e5cbd | Axel Kohlmeyer | fix a couple more bugs | Oct 22 2011 | |||
4652fcf279b9 | Axel Kohlmeyer | added better checks for compatible pair and kspace styles | Oct 22 2011 | |||
54df86aa9f34 | Axel Kohlmeyer | added pppm/tip4p/proxy class | Oct 22 2011 | |||
6e981d13fe6a | Axel Kohlmeyer | more pppm/proxy compatible long range coulomb classes | Oct 22 2011 | |||
8b175d0a61b1 | Axel Kohlmeyer | add multi-threaded versions of tri/line pair styles | Oct 22 2011 | |||
fb79b748d74a | Axel Kohlmeyer | bugfix to avoid reallocating local list in every step | Oct 22 2011 | |||
8292a82ce85c | Axel Kohlmeyer | extend support for math constants using PI | Oct 21 2011 | |||
31dc359e82f6 | Axel Kohlmeyer | Merge branch 'master' into openmp-step6 | Oct 21 2011 | |||
b1492a195bb8 | Axel Kohlmeyer | fix race conditions and omissions in ewald/omp | Oct 21 2011 | |||
b930d3759aeb | Axel Kohlmeyer | first stab as multi-threading ewald sum. still some races left. | Oct 21 2011 | |||
dbb0eae861ae | Axel Kohlmeyer | fix wall/* bugfix for applying unit lattice scaling | Oct 20 2011 | |||
fa80bceb30d0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7163 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
5667c71730bc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7158 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
ac909b6e1814 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7157 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
4322b98c8e6d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7156 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
8287969efa32 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7155 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
fd155252ea24 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7154 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
89a39c742569 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7148 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
c6d228775fc0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7147 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
ca8dfd3d7c07 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7146 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
83b55b844c9f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7145 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
6cebfc12b5c9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7144 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
a053fd478801 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7143 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
497290eadc9c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7138 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
ae247d982aec | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7137 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
f90ce18f3db4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
0da20cfa01d3 | Axel Kohlmeyer | avoid the default(shared) clause and make stuff const | Oct 19 2011 | |||
6f19c5d4580a | Axel Kohlmeyer | small optimization | Oct 19 2011 | |||
630de286b99b | Axel Kohlmeyer | implement fix wall/gran/omp | Oct 19 2011 | |||
7d5c1e9bec87 | Axel Kohlmeyer | don't require fix gpu to be the first fix anymore. the package command will… | Oct 19 2011 | |||
e4ab4f222b05 | Axel Kohlmeyer | Merge branch 'openmp-step5' into openmp-master | Oct 19 2011 | |||
6498113f8861 | Axel Kohlmeyer | final multi-threaded improper implementations | Oct 19 2011 | |||
2da0d83cfef9 | Axel Kohlmeyer | prepare for adding the rest of the multi-threaded improper styles | Oct 19 2011 | |||
55cdcc55ec7f | Axel Kohlmeyer | convert more angle styles to multi-threading | Oct 18 2011 | |||
ad48b9635ea3 | Axel Kohlmeyer | first batch of mass ported angle potentials | Oct 18 2011 | |||
693edb607637 | Axel Kohlmeyer | Merge branch 'openmp-step5' into openmp-master | Oct 18 2011 | |||
868d5898a839 | Axel Kohlmeyer | avoid segfault by setting _rho1d to NULL when not used. | Oct 18 2011 | |||
3e5ca79a9581 | Axel Kohlmeyer | fix the PI issue in pppm/gpu (i hope finally) | Oct 18 2011 | |||
e9d0321cf61f | Axel Kohlmeyer | add remaining multi-threaded bond potential | Oct 18 2011 | |||
6e241b8b44be | Axel Kohlmeyer | fix PI bug reported by christian trott | Oct 18 2011 | |||
ee03726687d8 | Axel Kohlmeyer | correct script for handling make package-update | Oct 18 2011 | |||
9d05ccab17e7 | Axel Kohlmeyer | remove unused variables | Oct 18 2011 | |||
4c872b77b111 | Axel Kohlmeyer | Merge branch 'openmp-step5' into openmp-master | Oct 18 2011 | |||
f1b4f88d276c | Axel Kohlmeyer | support suffix handling for kspace styles | Oct 18 2011 | |||
83b1e4d5f0b3 | Axel Kohlmeyer | print format bugfix | Oct 18 2011 | |||
15eab23d8ebb | Axel Kohlmeyer | adjust package management files for kspace proxy system | Oct 18 2011 | |||
a93cd170aa85 | Axel Kohlmeyer | add "proxy" long+pppm pair style for running kspace as a single thread with pair | Oct 18 2011 |
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