diff --git a/bench/KEPLER/in.lj.cpu b/bench/KEPLER/in.lj.cpu deleted file mode 100644 index ab6988e286..0000000000 --- a/bench/KEPLER/in.lj.cpu +++ /dev/null @@ -1,22 +0,0 @@ -# 3d Lennard-Jones melt - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no - -fix 1 all nve - -run $t diff --git a/bench/KEPLER/in.lj.cuda b/bench/KEPLER/in.lj.cuda deleted file mode 100644 index fcf6e37bc7..0000000000 --- a/bench/KEPLER/in.lj.cuda +++ /dev/null @@ -1,26 +0,0 @@ -# 3d Lennard-Jones melt - -# set number of GPUs - -package cuda gpu/node $g - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no - -fix 1 all nve - -run $t diff --git a/bench/KEPLER/in.lj.gpu b/bench/KEPLER/in.lj.gpu deleted file mode 100644 index 6cc2831365..0000000000 --- a/bench/KEPLER/in.lj.gpu +++ /dev/null @@ -1,29 +0,0 @@ -# 3d Lennard-Jones melt - -# newton off is required for GPU package -# set number of GPUs - -newton off -if "$g == 1" then "package gpu force/neigh 0 0 1" -if "$g == 2" then "package gpu force/neigh 0 1 1" - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no - -fix 1 all nve - -run $t diff --git a/bench/KEPLER/in.lj.intel.cpu b/bench/KEPLER/in.lj.intel.cpu deleted file mode 100644 index f8634ead8e..0000000000 --- a/bench/KEPLER/in.lj.intel.cpu +++ /dev/null @@ -1,26 +0,0 @@ -# 3d Lennard-Jones melt - -# set precision for USER-INTEL package - -package intel 1 $a balance 0.0 - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no - -fix 1 all nve - -run $t diff --git a/bench/KEPLER/in.lj.kokkos.cuda b/bench/KEPLER/in.lj.kokkos.cuda deleted file mode 100644 index ae403e70c0..0000000000 --- a/bench/KEPLER/in.lj.kokkos.cuda +++ /dev/null @@ -1,29 +0,0 @@ -# 3d Lennard-Jones melt - -# set neighlist style and comm mode - -package kokkos neigh full comm/exchange $c comm/forward $c -newton off - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -# set neighbor bins to cutoff + skin - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no binsize 2.8 - -fix 1 all nve - -run $t diff --git a/bench/KEPLER/in.lj.kokkos.omp b/bench/KEPLER/in.lj.kokkos.omp deleted file mode 100644 index 34bfddcbdd..0000000000 --- a/bench/KEPLER/in.lj.kokkos.omp +++ /dev/null @@ -1,26 +0,0 @@ -# 3d Lennard-Jones melt - -# set neighlist style and comm mode - -package kokkos neigh $n comm/exchange $c comm/forward $c - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no - -fix 1 all nve - -run $t diff --git a/bench/KEPLER/in.lj.omp b/bench/KEPLER/in.lj.omp deleted file mode 100644 index 3c80af3e39..0000000000 --- a/bench/KEPLER/in.lj.omp +++ /dev/null @@ -1,26 +0,0 @@ -# 3d Lennard-Jones melt - -# set number of threads per MPI task - -package omp $h - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no - -fix 1 all nve - -run $t diff --git a/bench/KEPLER/in.lj.opt b/bench/KEPLER/in.lj.opt deleted file mode 100644 index ab6988e286..0000000000 --- a/bench/KEPLER/in.lj.opt +++ /dev/null @@ -1,22 +0,0 @@ -# 3d Lennard-Jones melt - -units lj -atom_style atomic - -lattice fcc 0.8442 -region box block 0 $x 0 $y 0 $z -create_box 1 box -create_atoms 1 box -mass 1 1.0 - -velocity all create 1.44 87287 loop geom - -pair_style lj/cut 2.5 -pair_coeff 1 1 1.0 1.0 2.5 - -neighbor 0.3 bin -neigh_modify delay 0 every 20 check no - -fix 1 all nve - -run $t