386c12c970
start porting my Few class into this code
2016-12-20 16:09:29 -07:00
590f317550
fix_momentum_kokkos: don't override init()
2016-12-20 11:03:16 -07:00
07bee39002
Merge branch 'USER-DPD_whitespace' into USER-DPD_kokkos
2016-12-20 12:23:02 -05:00
c4e02a5d2b
USER-DPD: more whitespace fixes
2016-12-20 11:17:11 -05:00
889ee78f8b
Change necessary for pair_exp6_rx_kokkos to compile on GPU
2016-12-19 17:15:02 -07:00
f62a6fe5a5
Renaming rand_pool_wrap to rand_pool_wrap_kokkos
2016-12-19 16:50:22 -07:00
6f51c3b75c
Fixing issues in pair_multi_lucy_rx_kokkos
2016-12-19 16:25:31 -07:00
99910fc432
Adding CPU runtime tested version of pair_dpd_fdt_energy_kokkos
2016-12-19 15:27:16 -07:00
3f1f51c1c7
Changes necessary for runtime testing of Kokkos styles
2016-12-19 13:31:09 -07:00
21bb603b93
Porting recent changes from USER-DPD package to KOKKOS package
2016-12-19 13:30:00 -07:00
c7ac9e79cb
preemptive changes for Kokkos+CUDA
...
I haven't compiled in that mode yet
(don't know how), but these are some
changes I suspect the compiler
will require.
2016-12-19 13:17:22 -07:00
2ba424e1a3
USER-DPD: Whitespace cleanup to pair_dpd_fdt_energy.cpp
2016-12-19 15:11:52 -05:00
ca30c1ec88
got fix_momentum_kokkos to compile
...
there are likely still some compile
errors for Kokkos+CUDA...
2016-12-19 13:08:09 -07:00
a1b441a71f
draft the parallel_* constructs based on lambdas
...
LAMMPS_LAMBDA was added to kokkos_type.h to
facilitate this.
some member variables will likely need local copies
in the fix_momentum code.
2016-12-19 12:02:12 -07:00
f6f2170369
first draft
...
copied fix_momentum, work on the Kokkos
View types for the arrays.
the next step is parallel_for and parallel_reduce
transformations.
2016-12-19 11:28:24 -07:00
ac57f4721c
Small whitespace tweak to pair_dpd_fdt_energy
2016-12-16 17:14:27 -07:00
5cae3eca8c
Whitespace cleanup to pair_dpd_fdt_energy, should be cherry-picked to Master
2016-12-16 17:09:19 -07:00
8474453efd
Merge branch 'master' into USER-DPD_kokkos: as of 17Dec16 patch
2016-12-16 15:02:41 -05:00
cfa61b98ae
Fixing runtime issues in fix_eos_table_rx_kokkos
2016-12-16 12:37:41 -07:00
81a2db8a0c
17Dec16 patch
2016-12-16 11:36:54 -07:00
0a176841e7
extra python_wrapper change needed for last patch
2016-12-16 11:35:42 -07:00
3027ac9250
patch 16Dec16
2016-12-16 10:30:57 -07:00
fc54ab5cea
Merge pull request #301 from akohlmey/corrections-and-bugfixes
...
Collected corrections and bugfixes
2016-12-16 10:25:29 -07:00
e364b80724
added length keyword to python command
2016-12-16 10:24:25 -07:00
d93e3d1cee
Fixing runtime issues with pair_exp6_rx_kokkos
2016-12-16 10:06:12 -07:00
f47a40b2e4
Fixing Kokkos memory deallocation issue
2016-12-16 10:02:01 -07:00
830c9e8661
Merge branch 'USER-DPD_internal_energy' of https://github.com/timattox/lammps_USER-DPD into corrections-and-bugfixes
...
This closes #303
2016-12-16 11:22:25 -05:00
4907b29ad2
Merge branch 'USER-DPD_bugfixes' of https://github.com/timattox/lammps_USER-DPD into corrections-and-bugfixes
...
This closes #302
2016-12-16 11:21:15 -05:00
eff7238ff2
USER-DPD: fix_eos*: partition all internal energy into the uMech term only
...
This makes our results more closely match a vetted serial implementation.
NOTE: This does make the output different from any previous versions.
Patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-16 10:25:12 -05:00
126fb22e93
USER-DPD: Fix #define typo in pair_multi_lucy.h and pair_multi_lucy_rx.h
2016-12-16 10:08:30 -05:00
a3c1d385e8
Adding Kokkos version of fix_property_atom
2016-12-15 15:50:30 -07:00
d5f8f36442
Change to fix_property_atom to allow virtual override of grow_arrays() function
2016-12-15 15:48:09 -07:00
0a90492c44
USER-DPD: Update the header files to properly document all error statements
...
Patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-15 17:39:15 -05:00
fed629c23e
USER-DPD: Bugfix for fix_rx and fix_eos_table_rx to handle restart files.
...
Patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-15 17:10:13 -05:00
925481c3f4
USER-DPD: Fix hard-wall force interaction bug, and ensure fraction is >= 0
...
pair_exp6_rx.cpp patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-15 16:46:25 -05:00
c0d6cbbdd3
Updates to Kokkos files
2016-12-15 11:18:50 -07:00
a58f7631c0
fix_latte unpdated
2016-12-15 10:57:02 -07:00
da2ad5b6e0
update FixIntel code for new neighbor list code
2016-12-14 15:51:12 -05:00
bfcab72268
restore change to make -DLAMMPS_MEMALIGN=64 default when USER-INTEL package is installed (which requires it)
2016-12-14 15:24:55 -05:00
a9d26b3f4a
Updates to Kokkos files
2016-12-14 12:58:02 -07:00
3e2cd6d265
Merging from master to 13Dec16 version
2016-12-14 11:46:04 -07:00
16b15a636c
updated version of fix latte from SJP
2016-12-14 11:38:39 -07:00
d43bd57a40
changes in fix_latte
2016-12-14 11:38:39 -07:00
765fe3cdfe
changes for lattelib
2016-12-14 11:38:39 -07:00
031d4acde8
initial dummy version of fix_latte.cpp
2016-12-14 11:38:39 -07:00
d47c6b2761
Merge branch 'master' into USER-DPD_kokkos
2016-12-14 11:25:11 -07:00
f509f133af
patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package updates
2016-12-13 17:14:28 -07:00
f93c62d3e2
Reverting accidental change
2016-12-13 16:54:00 -07:00
1dbf6d443f
Adding Kokkos files
2016-12-13 16:43:40 -07:00
624c57e9da
Merge pull request #185 from akohlmey/new-neighbor
...
New neighbor list code with updates for USER-OMP and USER-DPD
2016-12-13 16:24:41 -07:00
