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7a17780a82dcadde1e72c8f56bb796607e141e6f
lammps/src/GPU
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Axel Kohlmeyer 7a17780a82 consistently check for newton pair off and align error message rest of LAMMPS 
also add checks for required charge property for pair styles with coulomb
2021-05-22 13:17:58 -04:00
..
fix_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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fix_gpu.h
apply clang-format to all headers with some exceptions
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fix_nh_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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fix_nh_gpu.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
fix_npt_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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fix_npt_gpu.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
fix_nve_asphere_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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fix_nve_asphere_gpu.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
fix_nve_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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fix_nve_gpu.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
fix_nvt_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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fix_nvt_gpu.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
gpu_extra.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
Install.sh
Merge branch 'master' into smooth-gpu
2021-04-07 14:15:33 +03:00
pair_beck_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_beck_gpu.h
apply clang-format to all headers with some exceptions
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pair_born_coul_long_cs_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
2021-05-22 13:17:58 -04:00
pair_born_coul_long_cs_gpu.h
apply clang-format to all headers with some exceptions
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pair_born_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_born_coul_long_gpu.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
pair_born_coul_wolf_cs_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_born_coul_wolf_cs_gpu.h
apply clang-format to all headers with some exceptions
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pair_born_coul_wolf_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_born_coul_wolf_gpu.h
apply clang-format to all headers with some exceptions
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pair_born_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_born_gpu.h
apply clang-format to all headers with some exceptions
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pair_buck_coul_cut_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_buck_coul_cut_gpu.h
apply clang-format to all headers with some exceptions
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pair_buck_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_buck_coul_long_gpu.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
pair_buck_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_buck_gpu.h
apply clang-format to all headers with some exceptions
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pair_colloid_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_colloid_gpu.h
apply clang-format to all headers with some exceptions
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pair_coul_cut_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_coul_cut_gpu.h
apply clang-format to all headers with some exceptions
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pair_coul_debye_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_coul_debye_gpu.h
apply clang-format to all headers with some exceptions
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pair_coul_dsf_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_coul_dsf_gpu.h
apply clang-format to all headers with some exceptions
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pair_coul_long_cs_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_coul_long_cs_gpu.h
apply clang-format to all headers with some exceptions
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pair_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_coul_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_dpd_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_dpd_gpu.h
apply clang-format to all headers with some exceptions
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pair_dpd_tstat_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_dpd_tstat_gpu.h
apply clang-format to all headers with some exceptions
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pair_eam_alloy_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_eam_alloy_gpu.h
apply clang-format to all headers with some exceptions
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pair_eam_fs_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_eam_fs_gpu.h
apply clang-format to all headers with some exceptions
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pair_eam_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_eam_gpu.h
apply clang-format to all headers with some exceptions
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pair_gauss_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_gauss_gpu.h
apply clang-format to all headers with some exceptions
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pair_gayberne_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_gayberne_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj96_cut_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj96_cut_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_charmm_coul_charmm_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_charmm_coul_charmm_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_charmm_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_charmm_coul_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_class2_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_class2_coul_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_class2_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_class2_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cubic_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cubic_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_coul_cut_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_coul_cut_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_coul_debye_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_coul_debye_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_coul_dsf_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_coul_dsf_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_coul_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_coul_msm_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_coul_msm_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_dipole_cut_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_dipole_cut_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_dipole_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_dipole_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_cut_tip4p_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_cut_tip4p_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_expand_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_expand_coul_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_expand_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_expand_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_gromacs_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_gromacs_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_sdk_coul_long_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_sdk_coul_long_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_sdk_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_sdk_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_sf_dipole_sf_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_sf_dipole_sf_gpu.h
apply clang-format to all headers with some exceptions
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pair_lj_smooth_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_lj_smooth_gpu.h
apply clang-format
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pair_mie_cut_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_mie_cut_gpu.h
apply clang-format to all headers with some exceptions
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pair_morse_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_morse_gpu.h
apply clang-format to all headers with some exceptions
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pair_resquared_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_resquared_gpu.h
apply clang-format to all headers with some exceptions
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pair_soft_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_soft_gpu.h
apply clang-format to all headers with some exceptions
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pair_sw_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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pair_sw_gpu.h
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pair_table_gpu.cpp
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pair_table_gpu.h
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pair_tersoff_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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pair_tersoff_gpu.h
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pair_tersoff_mod_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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pair_tersoff_mod_gpu.h
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pair_tersoff_zbl_gpu.cpp
disable clang-format for all existing .cpp files (for now)
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pair_tersoff_zbl_gpu.h
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pair_ufm_gpu.cpp
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pair_ufm_gpu.h
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pair_vashishta_gpu.cpp
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pair_vashishta_gpu.h
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pair_yukawa_colloid_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_yukawa_colloid_gpu.h
apply clang-format to all headers with some exceptions
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pair_yukawa_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_yukawa_gpu.h
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pair_zbl_gpu.cpp
consistently check for newton pair off and align error message rest of LAMMPS
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pair_zbl_gpu.h
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pppm_gpu.cpp
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pppm_gpu.h
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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.