From 31dd4cc6a6e55dc986604f4343c894e39f1eb920 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 6 Jun 2008 23:07:09 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1887
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
bench/README | 24 +++++++++---------------
bench/in.eam | 12 ++++++++----
bench/in.lj | 12 ++++++++----
3 files changed, 25 insertions(+), 23 deletions(-)
diff --git a/bench/README b/bench/README
index 964196d199..e0e436b048 100644
--- a/bench/README
+++ b/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.
diff --git a/bench/in.eam b/bench/in.eam
index 562c91b32d..1dc0e1a646 100644
--- a/bench/in.eam
+++ b/bench/in.eam
@@ -1,14 +1,18 @@
# 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 ${zz}
create_box 1 box
create_atoms 1 box
diff --git a/bench/in.lj b/bench/in.lj
index 2b2c6493c7..01e12ef8a9 100644
--- a/bench/in.lj
+++ b/bench/in.lj
@@ -1,14 +1,18 @@
# 3d Lennard-Jones melt
-variable x index 20
-variable y index 20
-variable z index 20
+variable x index 1
+variable y index 1
+variable z index 1
+
+variable xx equal 20*$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
--
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