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06ee5be2cef23eb23273c7f3fd64ee935178a13b
lammps/src/GPU
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Axel Kohlmeyer 8c4918457f consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
..
fix_gpu.cpp
small cleanup in fix gpu
2021-02-25 10:30:26 -05:00
fix_gpu.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nh_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nh_gpu.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_npt_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_npt_gpu.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nve_asphere_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nve_asphere_gpu.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nve_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nve_gpu.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nvt_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nvt_gpu.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
gpu_extra.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
Install.sh
Remove duplicate line in GPU/Install.sh
2021-02-16 11:14:22 -05:00
pair_beck_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
pair_born_gpu.h
Fix typos in src files
2017-03-05 21:03:40 -05:00
pair_buck_coul_cut_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
pair_eam_alloy_gpu.h
T2345: Replace instances of NULL with nullptr
2020-09-12 09:34:38 -06:00
pair_eam_fs_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
pair_eam_fs_gpu.h
T2345: Replace instances of NULL with nullptr
2020-09-12 09:34:38 -06:00
pair_eam_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
pair_eam_gpu.h
T2345: Replace instances of NULL with nullptr
2020-09-12 09:34:38 -06:00
pair_gauss_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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_charmm_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
pair_lj_charmm_coul_charmm_gpu.h
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
pair_lj_charmm_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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_cut_tip4p_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
pair_lj_cut_tip4p_long_gpu.h
Add copyright and fix style
2019-11-18 02:01:32 +03:00
pair_lj_expand_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
pair_tersoff_gpu.h
add C++ format identifiers to .h files
2017-06-20 16:18:34 -04:00
pair_tersoff_mod_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
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
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
pair_vashishta_gpu.h
Added vashishta GPU package for NVidia
2017-06-14 10:24:16 +02:00
pair_yukawa_colloid_gpu.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
pair_zbl_gpu.h
add C++ format identifiers to .h files
2017-06-20 16:18:34 -04:00
pppm_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
pppm_gpu.h
changes to more PPPM variants for tiled support
2020-08-12 14:25:28 -06:00
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.