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lammps/src/GPU
History
Axel Kohlmeyer de8176b4fc various minor OpenCL related fixes and improvements to the GPU package 
- document previously undocumented OpenCL tune settings
- implement OpenCL platform selection through prefixing the device type with the platform id separated by a colon
- allow passing custom tune parameters though postfixing the device type with the 13 tuneable parameters separated by commas
- remove an extra clear() that would delete device properties structs an cause LAMMPS to output garbage strings
2018-07-20 14:41:54 -04:00
..
fix_gpu.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_gpu.h
remove or reformulate references to USER-CUDA package, which no longer exists
2018-04-04 11:06:20 -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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
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_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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
Updates to the core-shell gpu pair styles
2018-06-20 10:43:13 -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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
pair_born_gpu.h
Fix typos in src files
2017-03-05 21:03:40 -05:00
pair_buck_coul_cut_gpu.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
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_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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
Switched to standard C++ header files for consistency with other source files
2018-06-01 23:13:49 -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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
Fixed bugs with lj/expand/coul/long and its gpu version
2018-06-15 23:38:37 -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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
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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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
pair_tersoff_gpu.h
add C++ format identifiers to .h files
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pair_tersoff_mod_gpu.cpp
replace C-style include files with their C++ equivalents
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pair_tersoff_mod_gpu.h
add placeholders to include files for error messges
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pair_tersoff_zbl_gpu.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
pair_vashishta_gpu.h
Added vashishta GPU package for NVidia
2017-06-14 10:24:16 +02:00
pair_yukawa_colloid_gpu.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
replace C-style include files with their C++ equivalents
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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
replace C-style include files with their C++ equivalents
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pair_zbl_gpu.h
add C++ format identifiers to .h files
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pppm_gpu.cpp
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pppm_gpu.h
add placeholders to include files for error messges
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README
new neigh_modify exclude option, other SNAP changes
2017-03-07 09:31:12 -07:00

README 

This package implements GPU optimizations of various LAMMPS styles.

Section 5.3.1 on 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.  See the KOKKOS package, which 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.