Adding pair style dpd/intel and dihedral style fourier/intel

Adding raw performance numbers for Skylake xeon server.
Fixes for using older Intel compilers and compiling without OpenMP.
Fix adding in hooks for using USER-INTEL w/ minimization.
This commit is contained in:
Michael Brown
2017-10-02 04:53:17 -07:00
parent f2c1172741
commit cf24dd0265
17 changed files with 1345 additions and 19 deletions

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@ -25,12 +25,12 @@ LAMMPS to run on the CPU cores and coprocessor cores simultaneously.
[Currently Available USER-INTEL Styles:]
Angle Styles: charmm, harmonic :ulb,l
Bond Styles: fene, harmonic :l
Bond Styles: fene, fourier, harmonic :l
Dihedral Styles: charmm, harmonic, opls :l
Fixes: nve, npt, nvt, nvt/sllod :l
Improper Styles: cvff, harmonic :l
Pair Styles: airebo, airebo/morse, buck/coul/cut, buck/coul/long,
buck, eam, eam/alloy, eam/fs, gayberne, lj/charmm/coul/charmm,
buck, dpd, eam, eam/alloy, eam/fs, gayberne, lj/charmm/coul/charmm,
lj/charmm/coul/long, lj/cut, lj/cut/coul/long, lj/long/coul/long, rebo,
sw, tersoff :l
K-Space Styles: pppm, pppm/disp :l
@ -82,6 +82,10 @@ this order :l
The {newton} setting applies to all atoms, not just atoms shared
between MPI tasks :l
Vectorization can change the order for adding pairwise forces :l
Unless specified otherwise at build time, the random number
generator for dissipative particle dynamics uses the Mersenne
Twister generator (that should be more robust than the standard
generator) :l
:ule
The precision mode (described below) used with the USER-INTEL

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@ -7,6 +7,7 @@
:line
dihedral_style fourier command :h3
dihedral_style fourier/intel command :h3
dihedral_style fourier/omp command :h3
[Syntax:]

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@ -8,6 +8,7 @@
pair_style dpd command :h3
pair_style dpd/gpu command :h3
pair_style dpd/intel command :h3
pair_style dpd/omp command :h3
pair_style dpd/tstat command :h3
pair_style dpd/tstat/gpu command :h3