[Swift-commit] r8151 - SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md

[wozniak at ci.uchicago.edu]

Author: wozniak
Date: 2014-08-13 16:31:24 -0500 (Wed, 13 Aug 2014)
New Revision: 8151

Added:
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.sh
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.sh
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.swift
Log:
MD Swift stuff


Added: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift	                        (rev 0)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.swift	2014-08-13 21:31:24 UTC (rev 8151)
@@ -0,0 +1,13 @@
+
+ at dispatch=WORKER
+(file outfile, file trjfile)
+simulate(int step_num, int step_print_num,
+         int step_print, int step_print_index,
+         int np, int nd,
+         float mass,
+         float dt,
+         int seed)
+"md" "0.0"
+[
+"simulate <<step_num>> <<step_print_num>> <<step_print>> <<step_print_index>> <<np>> <<nd>> <<mass>> <<dt>> <<seed>> [ lindex $<<outfile>> 0 ] [ lindex $<<trjfile>> 0 ]"
+];

Added: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.sh
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.sh	                        (rev 0)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.sh	2014-08-13 21:31:24 UTC (rev 8151)
@@ -0,0 +1,10 @@
+#!/bin/sh -eu
+
+stc run-md.swift
+
+MD_PKG=$( cd ${PWD}/../src/md ; /bin/pwd )
+export TURBINE_USER_LIB=${MD_PKG}
+export TURBINE_LOG=0 ADLB_DEBUG=0
+turbine run-md.tcl 
+
+


Property changes on: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.sh
___________________________________________________________________
Added: svn:executable
   + *

Added: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift	                        (rev 0)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-md.swift	2014-08-13 21:31:24 UTC (rev 8151)
@@ -0,0 +1,9 @@
+
+import md;
+
+main
+{
+  file out_txt<"out.txt">;
+  file out_trj<"out.trj">;
+  (out_txt, out_trj) = simulate(10, 10, 3, 0, 10, 2, 1, 0.1, 42);
+}

Added: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.sh
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.sh	                        (rev 0)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.sh	2014-08-13 21:31:24 UTC (rev 8151)
@@ -0,0 +1,8 @@
+#!/bin/sh -eu
+
+stc run-mds.swift
+
+MD_PKG=$( cd ${PWD}/../src/md ; /bin/pwd )
+export TURBINE_USER_LIB=${MD_PKG}
+export TURBINE_LOG=0 ADLB_DEBUG=0
+turbine -n 2 run-mds.tcl --simulations=4 --steps=10


Property changes on: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.sh
___________________________________________________________________
Added: svn:executable
   + *

Added: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.swift
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.swift	                        (rev 0)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/run-mds.swift	2014-08-13 21:31:24 UTC (rev 8151)
@@ -0,0 +1,17 @@
+
+import string;
+import sys;
+
+import md;
+
+main
+{
+  int simulations = toint(argv("simulations"));
+  int steps = toint(argv("steps"));
+  foreach i in [0:simulations-1]
+  {
+    file out_txt<sprintf("out-%i.txt",i)>;
+    file out_trj<sprintf("out-%i.trj",i)>;
+    (out_txt, out_trj) = simulate(steps, 10, 3, 0, 10, 2, 1, 0.1, 42);
+  }
+}