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

bench/README

@@ -76,25 +76,19 @@ mpirun -np 8 lmp_foo < in.rhodo
 
 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 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 2 -var y 2 -var z 4 < in.rhodo.scaled
 
 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
-scale up the problem size in each dimension.  Imagine the P processors
-arrayed as a 3d grid, so that P = Px * Py * Pz.  For P = 16, you might
-use Px = 2, Py = 2, Pz = 4.  To scale up equally in all dimensions you
-roughly want Px = Py = 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.
+command line switches.  The variables x,y,z are used in the input
+scripts to scale up the problem size in each dimension.  Imagine the P
+processors arrayed as a 3d grid, so that P = Px * Py * Pz.  For P =
+16, you might use Px = 2, Py = 2, Pz = 4.  To scale up equally in all
+dimensions you roughly want Px = Py = Pz.  Using the var switches, set
+x = Px, y = Py, and z = Pz.
 
 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
-values of x,y, as in the example mpirun command above.
+only need to set variables x and y.

bench/in.eam

 # bulk Cu lattice
 
-variable	x index 20
-variable	y index 20
-variable	z index 20
+variable	x index 1
+variable	y index 1
+variable	z index 1
+
+variable	xx equal 20*$x
+variable	yy equal 20*$y
+variable	zz equal 20*$z
 
 units		metal
 atom_style	atomic
 
 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_atoms	1 box
 

bench/in.lj

 # 3d Lennard-Jones melt
 
-variable	x index 20
-variable	y index 20
-variable	z index 20
+variable	x index 1
+variable	y index 1
+variable	z index 1
+
+variable	xx equal 20*$x
+variable	yy equal 20*$y
+variable	zz equal 20*$z
 
 units		lj
 atom_style	atomic
 
 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_atoms	1 box
 mass		1 1.0