Diffusion lammps 9b9f6d6fe2f4

USER-INTEL upgrade from M Brown
9b9f6d6fe2f4
Actions

Authored by Steve Plimpton <sjplimp@sandia.gov> on Jun 17 2017, 00:56.

Description

USER-INTEL upgrade from M Brown

Details

Committed

Steve Plimpton <sjplimp@sandia.gov>

Jun 17 2017, 00:56

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPSbc0241576fa1: Merge pull request #532 from akohlmey/restore-heuristics-in-fix-shardlow

Branches

Unknown

Tags

Unknown

Event Timeline

Steve Plimpton <sjplimp@sandia.gov> committed rLAMMPS9b9f6d6fe2f4: USER-INTEL upgrade from M Brown (authored by Steve Plimpton <sjplimp@sandia.gov>).Jun 17 2017, 00:56

Changes (81)

				Path
	M			doc/src/JPG/user_intel.png
	M			doc/src/accelerate_intel.txt
	M			doc/src/fix_neb.txt
	M			doc/src/kspace_modify.txt
	M			doc/src/kspace_style.txt
	M			doc/src/pair_lj_long.txt
	M			examples/neb/in.neb.hop1
	V			examples/neb/{in.neb.hop1.end ← in.neb.hop1freeend}
	V			examples/neb/{in.neb.hop1freeend → in.neb.hop1.end}
	V			examples/neb/{initial.hop1.end ← initial.hop1freeend}
	V			examples/neb/{initial.hop1freeend → initial.hop1.end}
	M			src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi
	M			src/MAKE/OPTIONS/Makefile.intel_knl_coprocessor
	M			src/MAKE/OPTIONS/Makefile.knl
	M			src/REPLICA/fix_neb.cpp
	M			src/USER-INTEL/README
	M			src/USER-INTEL/TEST/README
	M			src/USER-INTEL/TEST/in.intel.eam
	M			src/USER-INTEL/TEST/in.intel.lc
	M			src/USER-INTEL/TEST/in.intel.lj
	M			src/USER-INTEL/TEST/in.intel.rhodo
	M			src/USER-INTEL/TEST/in.intel.sw
	M			src/USER-INTEL/TEST/in.intel.tersoff
	M			src/USER-INTEL/TEST/in.intel.water
	M			src/USER-INTEL/TEST/in.lc_generate_restart
	A			src/USER-INTEL/TEST/run_benchmarks.sh
	M			src/USER-INTEL/angle_charmm_intel.cpp
	M			src/USER-INTEL/angle_harmonic_intel.cpp
	M			src/USER-INTEL/bond_fene_intel.cpp
	M			src/USER-INTEL/bond_harmonic_intel.cpp
	M			src/USER-INTEL/dihedral_charmm_intel.cpp
	M			src/USER-INTEL/dihedral_harmonic_intel.cpp
	M			src/USER-INTEL/dihedral_opls_intel.cpp
	M			src/USER-INTEL/fix_intel.cpp
	M			src/USER-INTEL/fix_intel.h
	M			src/USER-INTEL/improper_cvff_intel.cpp
	M			src/USER-INTEL/improper_harmonic_intel.cpp
	M			src/USER-INTEL/intel_buffers.cpp
	M			src/USER-INTEL/intel_buffers.h
	M			src/USER-INTEL/intel_preprocess.h
	M			src/USER-INTEL/intel_simd.h
	M			src/USER-INTEL/nbin_intel.cpp
	M			src/USER-INTEL/npair_full_bin_intel.cpp
	M			src/USER-INTEL/npair_full_bin_intel.h
	D			src/USER-INTEL/npair_half_bin_newtoff_intel.cpp
	D			src/USER-INTEL/npair_half_bin_newtoff_intel.h
	M			src/USER-INTEL/npair_half_bin_newton_intel.cpp
	M			src/USER-INTEL/npair_half_bin_newton_intel.h
	M			src/USER-INTEL/npair_half_bin_newton_tri_intel.cpp
	M			src/USER-INTEL/npair_half_bin_newton_tri_intel.h
	M			src/USER-INTEL/npair_intel.cpp
	M			src/USER-INTEL/npair_intel.h
	M			src/USER-INTEL/pair_buck_coul_cut_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_cut_intel.h
	M			src/USER-INTEL/pair_buck_coul_long_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_long_intel.h
	M			src/USER-INTEL/pair_buck_intel.cpp
	M			src/USER-INTEL/pair_buck_intel.h
	M			src/USER-INTEL/pair_eam_intel.cpp
	M			src/USER-INTEL/pair_eam_intel.h
	M			src/USER-INTEL/pair_gayberne_intel.cpp
	M			src/USER-INTEL/pair_gayberne_intel.h
	M			src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp
	M			src/USER-INTEL/pair_lj_charmm_coul_long_intel.h
	M			src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
	M			src/USER-INTEL/pair_lj_cut_coul_long_intel.h
	M			src/USER-INTEL/pair_lj_cut_intel.cpp
	M			src/USER-INTEL/pair_lj_cut_intel.h
	A			src/USER-INTEL/pair_lj_long_coul_long_intel.cpp
	A			src/USER-INTEL/pair_lj_long_coul_long_intel.h
	M			src/USER-INTEL/pair_sw_intel.cpp
	M			src/USER-INTEL/pair_sw_intel.h
	M			src/USER-INTEL/pair_tersoff_intel.cpp
	M			src/USER-INTEL/pair_tersoff_intel.h
	A			src/USER-INTEL/pppm_disp_intel.cpp
	A			src/USER-INTEL/pppm_disp_intel.h
	M			src/USER-INTEL/pppm_intel.cpp
	M			src/USER-INTEL/pppm_intel.h
	M			src/USER-INTEL/verlet_lrt_intel.cpp
	M			src/USER-INTEL/verlet_lrt_intel.h
	M			src/atom.cpp