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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1887 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2008-06-06 23:07:09 +00:00
parent 08416eaf3e
commit 31dd4cc6a6
3 changed files with 25 additions and 23 deletions
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24
bench/README
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@ -76,25 +76,19 @@ mpirun -np 8 lmp_foo < in.rhodo
Parallel scaled-size runs (on 16 procs in this case): Parallel scaled-size runs (on 16 procs in this case):
mpirun -np 16 lmp_foo -var x 40 -var y 40 -var z 80 < in.lj mpirun -np 16 lmp_foo -var x 2 -var y 2 -var z 4 < in.lj
mpirun -np 16 lmp_foo -var x 2 -var y 2 -var z 4 < in.chain.scaled mpirun -np 16 lmp_foo -var x 2 -var y 2 -var z 4 < in.chain.scaled
mpirun -np 16 lmp_foo -var x 40 -var y 40 -var z 80 < in.eam mpirun -np 16 lmp_foo -var x 2 -var y 2 -var z 4 < in.eam
mpirun -np 16 lmp_foo -var x 4 -var y 4 < in.chute.scaled mpirun -np 16 lmp_foo -var x 4 -var y 4 < in.chute.scaled
mpirun -np 16 lmp_foo -var x 2 -var y 2 -var z 4 < in.rhodo.scaled mpirun -np 16 lmp_foo -var x 2 -var y 2 -var z 4 < in.rhodo.scaled
For each of the scaled-size runs you must set 3 variables as -var For each of the scaled-size runs you must set 3 variables as -var
command line switches. The variables are used in the input scripts to command line switches. The variables x,y,z are used in the input
scale up the problem size in each dimension. Imagine the P processors scripts to scale up the problem size in each dimension. Imagine the P
arrayed as a 3d grid, so that P = Px * Py * Pz. For P = 16, you might processors arrayed as a 3d grid, so that P = Px * Py * Pz. For P =
use Px = 2, Py = 2, Pz = 4. To scale up equally in all dimensions you 16, you might use Px = 2, Py = 2, Pz = 4. To scale up equally in all
roughly want Px = Py = Pz. dimensions you roughly want Px = Py = Pz. Using the var switches, set
x = Px, y = Py, and z = Pz.
For LJ and Eam runs, use Px,Py,Pz multiplied by 20 to set the variable
values of x,y,z, as in the example mpirun commands above.
For Chain and Rhodo runs, use Px,Py,Pz directly to set the variable
values of x,y,z, as in the example mpirun commands above.
For Chute runs, you must have Pz = 1. Therefore P = Px * Py and you For Chute runs, you must have Pz = 1. Therefore P = Px * Py and you
only need to set variables x and y. Use Px,Py directly to set the only need to set variables x and y.
values of x,y, as in the example mpirun command above.

12
bench/in.eam
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@ -1,14 +1,18 @@
# bulk Cu lattice # bulk Cu lattice
variable x index 20 variable x index 1
variable y index 20 variable y index 1
variable z index 20 variable z index 1
variable xx equal 20*$x
variable yy equal 20*$y
variable zz equal 20*$z
units metal units metal
atom_style atomic atom_style atomic
lattice fcc 3.615 lattice fcc 3.615
region box block 0 $x 0 $y 0 $z region box block 0 ${xx} 0 ${yy} 0 ${zz}
create_box 1 box create_box 1 box
create_atoms 1 box create_atoms 1 box

12
bench/in.lj
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@ -1,14 +1,18 @@
# 3d Lennard-Jones melt # 3d Lennard-Jones melt
variable x index 20 variable x index 1
variable y index 20 variable y index 1
variable z index 20 variable z index 1
variable xx equal 20*$x
variable yy equal 20*$y
variable zz equal 20*$z
units lj units lj
atom_style atomic atom_style atomic
lattice fcc 0.8442 lattice fcc 0.8442
region box block 0 $x 0 $y 0 $z region box block 0 ${xx} 0 ${yy} 0 ${zz}
create_box 1 box create_box 1 box
create_atoms 1 box create_atoms 1 box
mass 1 1.0 mass 1 1.0