cd57708e85
Merge branch 'master' into fft
2019-09-12 15:51:02 -04:00
4874fcc32a
Merge branch 'master' into fft
2019-07-29 14:05:46 -06:00
a50d57bceb
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/utils.cpp
2019-07-19 17:57:58 -04:00
06275b03c0
refactor FFT handling in CMake module for KSPACE.
...
This also improves the FFT info output in the PPPM styles
2019-07-17 15:46:39 -04:00
2b5a6d3b7f
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
3c9098d2ee
FFTW3 for Kokkos
2019-06-17 14:42:23 -06:00
80846e3ed5
WIP: add FFTW3 threaded support
2019-06-17 13:52:34 -06:00
f02fe15ec2
Add Kokkos version of FFTs
2019-06-12 15:47:33 -06:00
73fa8d4055
Rename Kokkos variables
2019-06-07 16:30:02 -06:00
985fc86aa3
use ev_init for kspace
2019-03-13 17:55:30 +01:00
f0e48931e4
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
b34dac41c2
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
83c830fd8a
port kspace refactor to GPU and KOKKOS package
2018-10-19 15:47:00 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
91993b236d
avoid division by zero in PPPM for empty and uncharged systems. require kspace_modify gewald
2018-01-05 19:52:51 -05:00
31eb12920c
Use multiple inheritance to remove accelerator_kokkos.h out of region.h and kspace.h
2017-12-01 10:18:22 -07:00
15a3364c2c
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
ed50bd2254
Removing unnecessary fences
2017-06-05 13:54:13 -06:00
28bdebd3c0
avoid segfault when calling PPPM*::memory_usage() before grid communication is initialized
2017-03-28 07:50:48 -04:00
1f6c1942b3
Disable allocation of per-atom arrays in ev_setup for Kokkos styles
2017-03-08 12:42:44 -07:00
dc34a32602
Merge pull request #362 from ibaned/warnings2
...
fix Kokkos+kspace warnings
2017-02-03 14:43:12 -07:00
09fc8b0bd7
kspace & dihedral can't do their own sync/modify
...
because the verlet_kokkos system has
a "clever" optimization which will
alter the datamasks before calling sync/modify,
so the datamask framework must be
strictly obeyed for GPU correctness.
(the optimization is to concurrently
compute forces on the host and GPU,
and add them up at the end of an iteration.
calling your own sync will overwrite
the partial GPU forces with the
partial host forces).
2017-01-27 08:39:55 -07:00
e5d0bde783
pppm_kokkos: remove useless statement
2017-01-27 08:35:37 -07:00
9daf7fb650
pppm_kokkos: don't shadow member variables
2017-01-27 08:35:37 -07:00
b5d622c6a3
pppm_kokkos: remove unused variables
2017-01-27 08:35:37 -07:00
b4785cd038
Adding Kokkos version of PPPM
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15535 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-01 20:53:40 +00:00
