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Diffusion lammps (master) Graph

lammps/lib
master

History Graph

CommitAuthorDetailsCommitted
385080beabc5Mike Brown
Merge branch 'upload' 
Apr 15 2011
c38092fa3386W. Michael Brown
Some bug fixes and updated to default of 8 threads per atom. 
Apr 15 2011
e27ca98bb839W. Michael Brown
Untested update of entire GPU library to use multiple threads per atom. 
Apr 14 2011
48e5cd3228b8Mike Brown
Merge branch 'upload' 
Apr 13 2011
2b37bf3d416fW. Michael Brown
Some block sizes are now selected based on arch. 
Apr 13 2011
99381e0f1962Mike Brown
Merge branch 'upload' 
Apr 13 2011
5ff6092ea14fW. Michael Brown
Updating all preprocessor defines to be set by a kernel. Adding a threads per… 
Apr 13 2011
5e04ea2b49c3Mike Brown
Merge branch 'upload' 
Apr 13 2011
eac97a74d1daMike Brown
Updating lens makefile. 
Apr 13 2011
e7fc403e3cdcW. Michael Brown
Updating CHARMM test kernel. 
Apr 13 2011
0efcb241bbceW. Michael Brown
Fixing bug from last commit. 
Apr 12 2011
fd28fb9027f3W. Michael Brown
Further updates to charmm test kernel. 
Apr 12 2011
a20a7e961391Mike Brown
Fixing bug in charmm test kernel changing t_per_atom size. 
Apr 7 2011
d15d96094c1dW. Michael Brown
crml test update for arbitrary threads per atom. 
Apr 7 2011
3480e40e5f59sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5906 f3b2605a-c512-4ea7… 
Apr 7 2011
faf70592aef3W. Michael Brown
Adding testing code (charmm 2). 
Apr 6 2011
2bb3c7d1a158W. Michael Brown
Updating library to use new special bond indexing. 
Apr 6 2011
38faad75d478Mike Brown
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro 
Apr 6 2011
8983f9e8ffa4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5897 f3b2605a-c512-4ea7… 
Apr 5 2011
39aadadf7583W. Michael Brown
Removing some extraneous output from last commit. 
Apr 4 2011
2759b11312b4W. Michael Brown
Adding fixes for OpenCL support and correct constant casting to pppm kernels. 
Apr 4 2011
a955c52830f3W. Michael Brown
Consolidated block size defines into device header. 
Apr 4 2011
f08932d407e2W. Michael Brown
Switch pencil size in PPPM to arch dependent. Commiting for testing on yona. 
Apr 4 2011
86f7f6cd42a8W. Michael Brown
Adding better error output to LAMMPS routines. 
Apr 3 2011
b79869df3db9W. Michael Brown
Switching pppm to async zero. 
Mar 31 2011
3c92f73e26f0W. Michael Brown
Fixing bug in pppm gpu kernel from last commit. 
Mar 31 2011
7b2b11d84a3eW. Michael Brown
Updating to current version of LAMMPS. 
Mar 30 2011
e21ff9fcd94eMike Brown
Merge branch 'upload' 
Mar 30 2011
b7fa2a27b34dMike Brown
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro 
Mar 30 2011
ab2a2934a9ddW. Michael Brown
Finishing up asynchronous PPPM. 
Mar 30 2011
a3eca0b125a9W. Michael Brown
Adding stuff to support async charge spread for PPPM. 
Mar 29 2011
2c62f0c4c096W. Michael Brown
Finishing up single/double precision PPPM. 
Mar 29 2011
abb127e163e5W. Michael Brown
Started changes to support multiple precision modes for pppm. 
Mar 29 2011
15993c6cb35eW. Michael Brown
Fixing bug in gb_gpu final output. 
Mar 28 2011
3e7548cd275eW. Michael Brown
Fixing bug in gpu balance where split could be greater than 1 Fixing bug in… 
Mar 28 2011
71ff7b809683W. Michael Brown
Updating all code to use full neighbor lists for all host forces computations. 
Mar 28 2011
8f218cc11ddfW. Michael Brown
Another update for yona testing. 
Mar 28 2011
b42cfbfb363bW. Michael Brown
temporary commit for yona testing. 
Mar 27 2011
092ee2eea8a1W. Michael Brown
Temporary commit for testing on yona. 
Mar 27 2011
6111b9e8cbeasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5843 f3b2605a-c512-4ea7… 
Mar 26 2011
04f1dc492eecW. Michael Brown
Changing host neighbor list from gpu build to be full. Changing ordering of… 
Mar 26 2011
56fa3f5372f6W. Michael Brown
Fixing bug in hd_balancer introduced in recent commit. 
Mar 25 2011
f0263bf14ccbW. Michael Brown
pppm/gpu now using all gpu kernels. 
Mar 25 2011
e03cd3d8854aAxel Kohlmeyer
GPU selection bugfix from mike brown. 
Mar 25 2011
e32f0861dafaW. Michael Brown
Fixing pppm/gpu to work with gpu pair styles. 
Mar 25 2011
a56bc868aa40W. Michael Brown
Fixing bug in GPU selection. 
Mar 15 2011
58f0eaa6b6bdW. Michael Brown
WORKING Force INTERP kernel. Commenting out debug checks. 
Mar 15 2011
2103c06aec1eW. Michael Brown
Some small optimizations to PPPM spread kernel. 
Mar 15 2011
a5de35d07c72Axel Kohlmeyer
update atc for 64-bit changes. 
Mar 15 2011
f20bf5682178W. Michael Brown
Testing an optimization for PPPM interp. 
Mar 15 2011
1fb641092173W. Michael Brown
Adding PPPM interp kernel calls and tests. 
Mar 15 2011
fe8082d88afeW. Michael Brown
Undoing last commit. 
Mar 14 2011
2662c9ace653W. Michael Brown
Pencil decomposition defines now set according to architecture. 
Mar 14 2011
e2b96b6f4dd2W. Michael Brown
Changing pencil decomposition constants for test. 
Mar 14 2011
f9685d323170W. Michael Brown
Adding stuff for PPPM interpolation. 
Mar 14 2011
111de617166cW. Michael Brown
More bug fixes to modified PPPM charge spread kernel. 
Mar 9 2011
8e03c5891712W. Michael Brown
Fixing bug in PPPM GPU kernel from last commit. 
Mar 8 2011
7947dd346540W. Michael Brown
Modifying PPPM charge spread kernel to use multiple pencils per block. 
Mar 8 2011
0ff556412d03W. Michael Brown
Small improvement to morse kernel. 
Mar 7 2011
13d47d2874bfW. Michael Brown
Adding Morse potential (untested) 
Mar 7 2011
34ab4d831ef8W. Michael Brown
Fixing bug with texture binding when hybrid pair styles reallocs and 0 atoms on… 
Mar 2 2011
fe88e353d573W. Michael Brown
Fixing some bugs when using multiple GPU styles hybrid. 
Mar 1 2011
3e6ab71fa708W. Michael Brown
Bug fixes for charge spread kernel. 
Feb 28 2011
2f150052a0e3W. Michael Brown
Fix to new PPPM gpu kernel. 
Feb 28 2011
29bbace06a04W. Michael Brown
Switching PPPM kernel to use coalesced access. 
Feb 26 2011
242378a69ec5W. Michael Brown
Testing alternative delta storage instead of atom index in PPPM kernel. 
Feb 26 2011
f718bcfbaa9dW. Michael Brown
DROPPING TO 1 PPPM charge spread kernel. 
Feb 25 2011
73a8f5842ddcW. Michael Brown
Adding lj/expand/gpu. 
Feb 25 2011
a2671c967015W. Michael Brown
Fixing bug in virial calculation for hybrid styles. 
Feb 23 2011
fb2aab254282W. Michael Brown
NEW CODE FOR PAPER. 
Feb 23 2011
eac710420df6Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 23 2011
fd4fb582ca6fW. Michael Brown
Adding untested force interpolation kernel. 
Feb 22 2011
81b600132e72sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5701 f3b2605a-c512-4ea7… 
Feb 22 2011
e96ab4ea59d5Axel Kohlmeyer
added makefile for serial version /w MPI stubs. 
Feb 22 2011
a3d6cff83633W. Michael Brown
CODE USED TO BENCHMARK CHARGE SPREADING FOR PAPER. 
Feb 21 2011
fc6934dc4581W. Michael Brown
Changing resequence skip to use the block size. 
Feb 17 2011
a5fa012ed304W. Michael Brown
Adding optimizations for Fermi. 
Feb 17 2011
e8da16ff23acW. Michael Brown
Finishing laptop optimization of PPPM charge spread kernels. 
Feb 17 2011
a5163fabd2a6W. Michael Brown
Working on PPPM kernels. 
Feb 17 2011
603dfac3f107W. Michael Brown
Working on charge spreading. 
Feb 16 2011
22b299f94c21W. Michael Brown
Fixed incorrect starting index for PPPM regression check. Removed unnecessary… 
Feb 14 2011
8364b1214ebaW. Michael Brown
Optimizing PPPM kernel. 
Feb 14 2011
c4e10709d3dcW. Michael Brown
3 Working charge spreading kernels for PPPM. 
Feb 14 2011
958894570520W. Michael Brown
Playing with pppm. 
Feb 11 2011
d7fdcef6ffa0W. Michael Brown
Adding additional charge spreading kernels 
Feb 10 2011
6c28a2c11797W. Michael Brown
Adding working charge spreading code. 
Feb 9 2011
074b76f73cbbW. Michael Brown
Fixing bugs in charge spreading. 
Feb 9 2011
3e25ee5338b9W. Michael Brown
Adding kernel for rho map; not currently working. 
Feb 8 2011
83be27433ca1W. Michael Brown
Working on PPPM charge spread kernel. 
Feb 2 2011
4c7f84fda0b6W. Michael Brown
Adding working atom index storage to particle map. 
Feb 2 2011
3e4a467b20ebW. Michael Brown
Adding working GPU particle map for PPPM. Reverting changes to force.h/cpp. 
Feb 2 2011
27c6fd9dd066W. Michael Brown
Updating PPPM particle_map kernel. 
Feb 2 2011
5d6435f4f3a9W. Michael Brown
Adding PPPM particle_map stuff. 
Feb 1 2011
b9305d30cf11W. Michael Brown
Adding data transfer for charge spreading. 
Feb 1 2011
343485d59237W. Michael Brown
Adding pppm stuff and incorporating data transfer. 
Jan 31 2011
74ca3e124462Axel Kohlmeyer
with cuda-3.2 use mixed precision on lincoln 
Jan 28 2011
302e983393e3Axel Kohlmeyer
update to cuda-3.2 on NCSA lincoln. 
Jan 28 2011
c1c9fd47dee5W. Michael Brown
Hybrid working, but not fully tested. 
Jan 27 2011
b9c7e2bb9612W. Michael Brown
Trying to get hybrid gpu styles to work... 
Jan 25 2011
45971bf7329dW. Michael Brown
Atom data will not be copied multiple times if multiple styles need it. Adding… 
Jan 24 2011
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