8b055ee4ef
Fixed compile error for fix_momentum_kokkos.
2018-10-22 11:24:11 -04:00
8224c89f93
Revert size_velocity change in atom_vec_dpd_kokkos
2018-10-11 16:38:44 -06:00
a223338b47
Fix hang with Kokkos and USER-DPD examples
2018-10-11 16:32:44 -06:00
8eb74d8fb3
Add missing Kokkos pack/unpack comm vel functions
2018-10-11 13:21:44 -06:00
3d0722b974
Merge branch 'master' of github.com:lammps/lammps into granular-kokkos
2018-10-10 10:43:54 -06:00
747f72aca2
Merge branch 'granular-kokkos' of https://github.com/valleymouth/lammps into granular-kokkos
2018-10-10 09:53:15 +01:00
0c1ff5ac3e
Fixing issues with AtomVecSphereKokkos not correctly handling cases with varying and constant radius.
2018-10-05 17:10:31 +01:00
57b2f60556
Fix bug in Kokkos EAM
2018-10-02 09:45:13 -06:00
9c27548a5c
more replacing of sprintf() with snprintf()
2018-09-06 10:45:48 -04:00
cca1e0a399
Merge branch 'master' into granular-kokkos
2018-08-20 22:02:41 -04:00
9765a9a430
Implementing forward/border comm in Kokkos.
2018-08-13 16:03:23 +01:00
165fa01a97
Cleanup
2018-08-10 14:23:51 -06:00
8f665a5a0f
Update Kokkos docs for data duplication
2018-08-10 13:46:03 -06:00
6f1986a8f1
Small tweaks to Kokkos EAM
2018-08-10 13:10:02 -06:00
eb4d586493
Remove duplicate if test in fix_qeq_reax_kokkos
2018-08-10 12:53:27 -06:00
9f058f19bc
Deallocate duplicated memory
2018-08-10 12:49:02 -06:00
12ecc45b6a
Add data duplication to pair_snap_kokkos
2018-08-10 12:30:58 -06:00
ebc0abbb8d
Add data duplication to pair_eam_kokkos variants
2018-08-10 12:30:37 -06:00
faa21a0591
Add data duplication to pair_sw_kokkos
2018-08-10 12:30:17 -06:00
d9fb37e25e
Add data duplication to pair_tersoff_kokkos and variants
2018-08-10 12:30:03 -06:00
120fdbb9fc
Add data duplication to pair_eam_kokkos
2018-08-10 10:53:22 -06:00
b0183de7ca
Merge branch 'master' into reax_dup
2018-08-09 17:11:26 -06:00
9521814441
rename Kokkos::gpu_direct to Kokkos::gpu_direct_flag
...
This is for consistency with other parts of LAMMPS where
such variables have "flag" in their name. Also reduces
confusion with have_gpu_direct() function.
When we can safely detect, that GPU-direct is not available,
change the default setting of Kokkos::gpu_direct_flag from 1 to 0
2018-08-09 04:52:58 -04:00
dd9fed11dc
use '-pk kokkos gpu/direct on/off' consistently in comments and docs
2018-08-09 04:16:22 -04:00
01b8134746
Small tweak to GPU direct not available warning
2018-08-09 09:35:11 +02:00
32658c20d4
Fix typo in gridcomm_kokkos
2018-08-08 17:07:12 -06:00
1c550d8f39
Change defaults for GPU-direct to use comm host
2018-08-08 16:46:36 -06:00
d8aa6d534b
Remove hardcoded GPU-direct in KOKKOS package
2018-08-08 16:09:41 -06:00
5d87e0c651
add wrapper for MPI implementation specific GPU-direct detection
...
this adds a local wrapper function have_gpu_direct(), that informs about
the support for GPU-direct, if possible and add a warning message in case
it cannot be detected or is not available and using more than 1 MPI rank.
2018-08-08 13:57:41 +02:00
3d537850fd
make communication settings consistent, in case the package command is used multiple times.
2018-08-08 10:20:24 +02:00
b6c458192c
reword misleading message about GPU usage
2018-08-08 10:19:48 +02:00
ba693a74be
Add contribute method to pair_table_kokkos
2018-08-07 12:27:32 -06:00
cdd85b0749
Merge branch 'reax_dup' of ssh://github.com/stanmoore1/lammps into reax_dup
2018-08-03 07:37:49 -06:00
3e962c9729
Update from master
2018-08-03 07:37:18 -06:00
1b0a8fdc9b
Merge pull request #942 from tootea/nhfixes
...
Fix discrepancies between fix_nh and papers
2018-08-02 11:16:54 -06:00
5412204ff7
Merge branch 'master' into granular-kokkos
2018-08-02 10:11:50 +02:00
57ad197b7d
port nh fixes to KOKKOS
2018-07-24 10:48:06 -04:00
591e782415
Optimizing PairGranHookeHistoryKokkos to be less divergent.
2018-07-19 17:08:44 +01:00
f9c7fa973b
USER-DPD: propagate a minor performance bugfix throughout the DPDE code
...
The fix_shardlow_kokkos.cpp code had already factored out a redundant
sqrt() calculation in the innermost loop of ssa_update_dpde(). This
changeset propagates an equivilent optimization to:
fix_shardlow.cpp
pair_dpd_fdt_energy.cpp
pair_dpd_fdt_energy_kokkos.cpp
The alpha_ij variable was really just an [itype][jtype] lookup parameter,
replacing a sqrt() and two multiplies per interacting particle pair
by a cached memory read. Even if there isn't much time savings, the
code is now consistent across the various versions.
2018-07-18 10:50:22 -05:00
140767be16
Merge pull request #1001 from stanmoore1/kk_bugfix
...
Fix rare crash in Kokkos ReaxFF on GPUs
2018-07-16 08:49:30 -06:00
406aaf011f
Improving global memory access pattern for firstflag and firstvalue in FixNeighHistoryKokkos.
2018-07-16 15:30:24 +01:00
16381a52b1
Fix crash in ReaxFF on GPUs
2018-07-12 20:22:38 -06:00
71f6991233
Small tweaks to fix_enforce2d_kokkos
2018-07-11 12:39:04 -06:00
0d1e55c99d
Removing unnecessary calls to sync/modified in AtomVecSphereKokkos.
2018-07-11 11:06:16 -04:00
c83b5ec226
Prevent error when Kokkos debug mode turned on
2018-07-10 19:49:41 -06:00
687a4427da
Fix runtime error in pair_dpd_fdt_energy_kokkos due to rmass change
2018-07-10 12:15:08 -06:00
a49f946f2f
Add missing modify in atom_vec_sphere_kokkos
2018-07-10 10:04:13 -06:00
8c3cbad7ae
Fix runtime error in fix_nve_kokkos
2018-07-10 09:15:24 -06:00
ca8b109a1c
Fix issues with rmass in KOKKOS package
2018-07-10 08:59:06 -06:00
55980294f1
Fix issues in atom_vec_sphere_kokkos
2018-07-09 18:47:17 -06:00
