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d6412dc97b86c0dc95a8f9a014ab75796bd6c12f
lammps/src/GPU
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Trung Nguyen d6412dc97b Attempted to resolve issues with switching from acctyp4 to acctyp3 in tep, fieldp since the changes in PR #3675, noting some changes with Intel OCL PR #3663
2023-07-08 00:50:19 -05:00
..
amoeba_convolution_gpu.cpp
Replaced MPI_Wtime() with platform::walltime(), put the low-level timing breakdown inside #if DEBUG_AMOEBA
2023-01-20 14:19:16 -06:00
amoeba_convolution_gpu.h
Ran the four make commands in the src folder: make fix-whitespace; make fix-homepage; make fix-errordocs; make fix-permissions
2023-01-15 16:05:36 -06:00
fix_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
fix_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nh_gpu.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nh_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_npt_gpu.cpp
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2022-10-24 11:08:26 -04:00
fix_npt_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nve_asphere_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
fix_nve_asphere_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
fix_nve_gpu.cpp
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2022-10-24 11:08:26 -04:00
fix_nve_gpu.h
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2022-10-24 11:08:26 -04:00
fix_nvt_gpu.cpp
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2022-10-24 11:08:26 -04:00
fix_nvt_gpu.h
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2022-10-24 11:08:26 -04:00
gpu_extra.h
update developer reference text
2022-10-24 11:08:26 -04:00
Install.sh
Merge branch 'develop' into amoeba-gpu
2022-12-14 13:16:41 -06:00
pair_amoeba_gpu.cpp
Attempted to resolve issues with switching from acctyp4 to acctyp3 in tep, fieldp since the changes in PR #3675, noting some changes with Intel OCL PR #3663
2023-07-08 00:50:19 -05:00
pair_amoeba_gpu.h
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_beck_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_beck_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_long_cs_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_coul_long_cs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_wolf_cs_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_coul_wolf_cs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_wolf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_coul_wolf_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_born_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_coul_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_buck_coul_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_buck_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_buck_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_colloid_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_colloid_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_debye_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_debye_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_dsf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_dsf_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_long_cs_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_long_cs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_dpd_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_dpd_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_dpd_tstat_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_dpd_tstat_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_eam_alloy_gpu.cpp
enable and apply clang-format, remove redundant code, improve error message for EAM potential pair styles
2023-03-25 06:48:59 -04:00
pair_eam_alloy_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_eam_fs_gpu.cpp
enable and apply clang-format, remove redundant code, improve error message for EAM potential pair styles
2023-03-25 06:48:59 -04:00
pair_eam_fs_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_eam_gpu.cpp
enable and apply clang-format, remove redundant code, improve error message for EAM potential pair styles
2023-03-25 06:48:59 -04:00
pair_eam_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_gauss_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_gauss_gpu.h
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2022-10-24 11:08:26 -04:00
pair_gayberne_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_gayberne_gpu.h
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_hippo_gpu.cpp
Attempted to resolve issues with switching from acctyp4 to acctyp3 in tep, fieldp since the changes in PR #3675, noting some changes with Intel OCL PR #3663
2023-07-08 00:50:19 -05:00
pair_hippo_gpu.h
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj96_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj96_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_charmm_coul_charmm_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_charmm_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_class2_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_class2_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_class2_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_class2_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cubic_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cubic_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_cut_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_debye_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_debye_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_dsf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_dsf_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_long_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_msm_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_coul_msm_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_dipole_cut_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_dipole_long_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_cut_tip4p_long_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_expand_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_expand_coul_long_gpu.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_expand_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_expand_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_gromacs_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_gromacs_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_sf_dipole_sf_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_sf_dipole_sf_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_smooth_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_smooth_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_spica_coul_long_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_spica_coul_long_gpu.h
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2022-10-24 11:08:26 -04:00
pair_lj_spica_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_lj_spica_gpu.h
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2022-10-24 11:08:26 -04:00
pair_mie_cut_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_mie_cut_gpu.h
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2022-10-24 11:08:26 -04:00
pair_morse_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_morse_gpu.h
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2022-10-24 11:08:26 -04:00
pair_resquared_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_resquared_gpu.h
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_soft_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_soft_gpu.h
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2022-10-24 11:08:26 -04:00
pair_sw_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_sw_gpu.h
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2022-10-24 11:08:26 -04:00
pair_table_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_table_gpu.h
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2022-10-24 11:08:26 -04:00
pair_tersoff_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_tersoff_gpu.h
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2022-10-24 11:08:26 -04:00
pair_tersoff_mod_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_tersoff_mod_gpu.h
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2022-10-24 11:08:26 -04:00
pair_tersoff_zbl_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_tersoff_zbl_gpu.h
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2022-10-24 11:08:26 -04:00
pair_ufm_gpu.cpp
Misc Improvements to GPU Package
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pair_ufm_gpu.h
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2022-10-24 11:08:26 -04:00
pair_vashishta_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_vashishta_gpu.h
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2022-10-24 11:08:26 -04:00
pair_yukawa_colloid_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_yukawa_colloid_gpu.h
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2022-10-24 11:08:26 -04:00
pair_yukawa_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_yukawa_gpu.h
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2022-10-24 11:08:26 -04:00
pair_zbl_gpu.cpp
Misc Improvements to GPU Package
2023-03-05 21:03:12 -08:00
pair_zbl_gpu.h
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2022-10-24 11:08:26 -04:00
pppm_gpu.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
pppm_gpu.h
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2022-10-24 11:08:26 -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.