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17602b4c26fa94e02e204b3e8e85a48cecc65569
lammps/src/GPU
History
Axel Kohlmeyer dc8b43a95f update docs and sources and for changes in this branch
2019-05-18 15:16:10 -04:00
..
fix_gpu.cpp
restore lost changes to fix gpu from upstream
2019-05-18 13:09:25 -04:00
fix_gpu.h
update docs and sources and for changes in this branch
2019-05-18 15:16:10 -04:00
gpu_extra.h
various minor OpenCL related fixes and improvements to the GPU package
2018-07-20 14:41:54 -04:00
Install.sh
Updates to the core-shell gpu pair styles
2018-06-20 10:43:13 -05:00
pair_beck_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_beck_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_born_coul_long_cs_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_born_coul_long_cs_gpu.h
Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests
2018-06-18 00:15:28 -05:00
pair_born_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_born_coul_long_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_born_coul_wolf_cs_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_born_coul_wolf_cs_gpu.h
Updates to the core-shell gpu pair styles
2018-06-20 10:43:13 -05:00
pair_born_coul_wolf_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_born_coul_wolf_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_born_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_born_gpu.h
Fix typos in src files
2017-03-05 21:03:40 -05:00
pair_buck_coul_cut_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_buck_coul_cut_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_buck_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_buck_coul_long_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_buck_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_buck_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_colloid_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_colloid_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_coul_cut_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_cut_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_coul_debye_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_debye_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_coul_dsf_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_dsf_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_coul_long_cs_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_long_cs_gpu.h
Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests
2018-06-18 00:15:28 -05:00
pair_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_long_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_dpd_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_dpd_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_dpd_tstat_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_dpd_tstat_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_eam_alloy_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_eam_alloy_gpu.h
disable use of fix adapt with EAM for GPU+KOKKOS and CDEAM
2016-09-20 15:06:39 -04:00
pair_eam_fs_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_eam_fs_gpu.h
disable use of fix adapt with EAM for GPU+KOKKOS and CDEAM
2016-09-20 15:06:39 -04:00
pair_eam_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_eam_gpu.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
pair_gauss_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_gauss_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_gayberne_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_gayberne_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj96_cut_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj96_cut_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_charmm_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_charmm_coul_long_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_class2_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_class2_coul_long_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_class2_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_class2_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_cubic_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cubic_gpu.h
add C++ format identifiers to .h files
2017-06-20 16:18:34 -04:00
pair_lj_cut_coul_cut_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_cut_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_cut_coul_debye_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_debye_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_lj_cut_coul_dsf_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_dsf_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_cut_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_long_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_cut_coul_msm_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_msm_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_lj_cut_dipole_cut_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_dipole_cut_gpu.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_lj_cut_dipole_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_dipole_long_gpu.h
Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch
2018-05-20 17:03:12 -05:00
pair_lj_cut_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_expand_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_expand_coul_long_gpu.h
Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch
2018-05-20 17:03:12 -05:00
pair_lj_expand_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_expand_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_gromacs_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_gromacs_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_lj_sdk_coul_long_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_sdk_coul_long_gpu.h
remove cg/cmm style name aliases
2017-04-26 17:24:25 -04:00
pair_lj_sdk_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_sdk_gpu.h
remove cg/cmm style name aliases
2017-04-26 17:24:25 -04:00
pair_lj_sf_dipole_sf_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_sf_dipole_sf_gpu.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_mie_cut_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_mie_cut_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_morse_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_morse_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_resquared_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_resquared_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_soft_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_soft_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_sw_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_sw_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_table_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_table_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_tersoff_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_tersoff_gpu.h
add C++ format identifiers to .h files
2017-06-20 16:18:34 -04:00
pair_tersoff_mod_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_tersoff_mod_gpu.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_tersoff_zbl_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_tersoff_zbl_gpu.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_ufm_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_ufm_gpu.h
Added the UFM files (doc/src - lib/gpu - src)
2017-10-24 11:11:10 -02:00
pair_vashishta_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_vashishta_gpu.h
Added vashishta GPU package for NVidia
2017-06-14 10:24:16 +02:00
pair_yukawa_colloid_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_yukawa_colloid_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
pair_yukawa_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_yukawa_gpu.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_zbl_gpu.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_zbl_gpu.h
add C++ format identifiers to .h files
2017-06-20 16:18:34 -04:00
pppm_gpu.cpp
use ev_init for kspace
2019-03-13 17:55:30 +01:00
pppm_gpu.h
port kspace refactor to GPU and KOKKOS package
2018-10-19 15:47:00 -04:00
README
update docs and sources and for changes in this branch
2019-05-18 15:16:10 -04:00

README 

This package implements GPU optimizations of various LAMMPS styles.

Section 3.7 of the manual gives details of what hardware and Cuda
software is required on your system, and full details on how to build
and use this package.  The KOKKOS package also has GPU-enabled styles.

This package uses an external library provided in lib/gpu which must
be compiled before making LAMMPS.  See the lib/gpu/README file and the
LAMMPS manual for information on building LAMMPS with external
libraries.  The settings in the Makefile.lammps file in that directory
must be correct for LAMMPS to build correctly with this package
installed.

The GPU package and its associated library was created by Mike Brown
while at Sandia and ORNL, and by Trung Nguyen while at ORNL.