d95fbf3a5e
USER-DPD Kokkos: use Random_XorShift64() by default, but allow overrides
2017-03-02 15:01:41 -05:00
5c6b0cc85c
removed fix_latte from src folder
2017-03-01 16:34:20 -07:00
03c05537fb
Merge branch 'USER-DPD_kokkos' into USER-DPD_kokkos_ssa_debug
2017-03-01 15:49:12 -05:00
8210b25fb8
USER-DPD Kokkos: replicate 9a560b90 bugfix to atom_vec_dpd_kokkos.cpp
2017-03-01 15:34:24 -05:00
8c625a52de
Merge branch 'USER-DPD_bugfix' into USER-DPD_kokkos, AtomVecDPD hybrid bugfix
2017-03-01 15:29:44 -05:00
9a560b9091
USER-DPD bugfix: make atom_vec_dpd work properly with atom_vec_hybrid.
...
We were sending too much data during pack_comm_hybrid/unpack_comm_hybrid.
2017-03-01 15:22:28 -05:00
ed089c34cf
USER-DPD Kokkos: Now use the deterministic Random_XorShift64() for SSA
2017-03-01 14:18:14 -05:00
268e855a15
USER-DPD Kokkos: bugfix for the rare case were the SSA ghost
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processing has more parallelism than for the locals.
2017-03-01 14:14:29 -05:00
bf1794f59a
Merge branch 'USER-DPD_kokkos' into USER-DPD_kokkos_ssa_debug
2017-03-01 10:29:33 -05:00
8a0e44db83
updated documentation and ev_tally
2017-03-01 16:13:44 +01:00
0982331c71
USER-DPD Kokkos: replicate 7a593c2f bugfix to pair_table_rx_kokkos.cpp
2017-03-01 09:49:24 -05:00
3ae77e718a
Merge branch 'USER-DPD_bugfix' into USER-DPD_kokkos
2017-03-01 09:45:50 -05:00
1dc78a7e58
USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff()
2017-02-28 17:45:21 -05:00
7a593c2fc8
USER-DPD: correct off-by-one errors in PairTableRX::coeff()
2017-02-28 14:25:03 -05:00
b26a434a50
USER-DPD Kokkos: Add "#ifdef ALLOW_NON_DETERMINISTIC_SSA" toggle
...
SSA atom binning algorithm was adjusted to do as much work in
parallel while preserving deterministic behavior. The final
step is done serially to preserve deterministic behavior.
An alternative would be to sort the contents of the bins so
that they are always in the same order.
2017-02-28 12:53:56 -05:00
2b78ac2146
USER-DPD Kokkos: Add "#ifdef DPD_USE_RAN_MARS" toggle
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Also, initialize the rand_pool with a seed in init_style()
2017-02-28 12:49:11 -05:00
3605208a45
add a few more missing details for integrating pair style kolmogorov/crespi/z
2017-02-28 11:16:27 -05:00
323570c920
added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in source
2017-02-28 15:39:01 +01:00
df13a7a003
email added
2017-02-28 15:12:35 +01:00
a1b40b902d
Added Kolmogorov-Crespi potential
2017-02-28 14:59:13 +01:00
b921b69f47
implement bugfix from issue #388
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this closes #388
2017-02-27 18:22:21 -05:00
c0cf50bce5
trigger recomputing ichunk between runs unless requested otherwise
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this fixes #390
2017-02-27 18:19:59 -05:00
a5507b291d
USER-DPD Kokkos: give each workItem index a unique instance of RanMars
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Makes fix_shardlow_kokkos deterministic across runs and thread count.
2017-02-26 18:00:20 -05:00
3eba3e5a1b
USER-DPD Kokkos: for deterministic results, serialize bin_atoms() for now.
2017-02-26 17:57:13 -05:00
e4b544f934
Make pair_dpd_fdt_energy's random seed public so fix_shardlow can use it.
2017-02-26 17:53:45 -05:00
35ee24cfad
use RandWrap in pair_dpd_fdt_energy_kokkos and fix_shardlow_kokkos
2017-02-26 14:50:58 -05:00
e4500859a3
USER-DPD: add "#ifdef DEBUG_PAIR_CT" debugging code to fix_shardlow*
2017-02-24 22:24:29 -05:00
fd1523c756
USER-DPD Kokkos: add missing () in STACKPARAMS check in ssa_update_*
2017-02-24 22:19:53 -05:00
21619b2976
USER-DPD Kokkos: correct the setup of the ghost SSA workplan
2017-02-24 22:16:33 -05:00
b053c367ea
USER-DPD Kokkos: remove extranious debugging code
2017-02-24 19:09:07 -05:00
c2e3a76225
USER-DPD Kokkos: rand seed can't be zero, so add some salt.
2017-02-24 19:07:55 -05:00
6ea290a699
DEBUG: make FixShardlowKokkos have it's own rand_pool, plus debug code.
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ssa_update_dpde() hangs on first use of rand_gen.normal()
Switching to not using a pointer to PairDPDfdtEnergyKokkos's rand_pool
had no noticble effect.
2017-02-24 17:41:57 -05:00
c56e0692b9
USER-DPD Kokkos: enable install of SSA Kokkos code
2017-02-24 17:38:46 -05:00
71379487ab
USER-DPD: variety of fixes for new SSA Kokkos code. Still not functional.
2017-02-24 17:35:58 -05:00
a18b4ef4b0
update AGNI potential for Al, reference runs and output and citation
2017-02-24 15:33:13 -05:00
f7a48719ad
USER-DPD: first attempt at fix_shardlow_kokkos... It compiles!
2017-02-24 13:35:48 -05:00
a341a6bca9
USER-DPD: make locals & ghosts use similar SSA work plan data structure
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Kokkos SSA won't use AIRct_ssa[], but still used for non-Kokkos for now.
2017-02-24 13:27:27 -05:00
2f04e87d07
USER-DPD: make PairDPDfdtEnergyKokkos's rand_pool public so it can be reused
2017-02-24 13:24:18 -05:00
aecafecaa2
USER-DPD: fix missing host prefixes in AtomVecDPDKokkos::pack_comm
2017-02-24 13:21:26 -05:00
1db62a57b5
USER-DPD: pair_dpd_fdt_energy_kokkos: enable STACKPARAMS specialization
2017-02-24 13:17:49 -05:00
2dcbc805ba
min latte partially fixed
2017-02-23 18:20:02 -07:00
b27cc8f474
USER-DPD: use LAMBDA instead of functor for ghost binning in nbin_ssa_kokkos
2017-02-22 15:08:24 -05:00
8065d96761
USER-DPD: first attempt at npair_ssa_kokkos... It compiles!
2017-02-22 15:08:24 -05:00
01d0a5c4a2
BUGFIX: use Kokkos::atomic_fetch_max() to avoid a race on new_maxneighs
2017-02-22 15:08:24 -05:00
5c6e7b12c6
BUGFIX: fix a copy-o in build_Item_Ghost(): xbin2, etc. should be an int
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xbin2, ybin2, and zbin2 are temporary integer bin coordinates, not floats!
2017-02-22 15:08:24 -05:00
19ffe59315
USER-DPD: fix typo in NPairHalfBinNewtonSSA::build(): sz1 instead of sx1
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Luckily, no real change, since sz1 and sx1 are normally identical.
2017-02-22 15:08:23 -05:00
37810bdc53
USER-DPD: move centroid bin of stencil_ssa to the first slot.
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Eliminates a special case version of a loop just for Subphase 0.
NOTE: pair evaluation order changes, causing numerical differences!
This changed the order that close neighbors of ghosts are processed.
2017-02-22 15:08:23 -05:00
7feb6c2853
USER-DPD: fix a bug in AtomVecDPDKokkos::unpack_restart()
2017-02-22 15:08:23 -05:00
d1a0a3e1c3
USER-DPD: first attempt at nbin_ssa_kokkos... It compiles!
2017-02-22 15:08:22 -05:00
c2ee3285fc
USER-DPD: change nstencil_ssa[] to eliminate a corner case
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Saves a conditional inside an NPairHalfBinNewtonSSA::build() inner loop
2017-02-22 15:08:22 -05:00
