[Swift-commit] r8146 - demo/xsede.2014.0425/part07

[wozniak at ci.uchicago.edu]

Author: wozniak
Date: 2014-08-13 15:17:50 -0500 (Wed, 13 Aug 2014)
New Revision: 8146

Added:
   demo/xsede.2014.0425/part07/run-mds.sh
Modified:
   demo/xsede.2014.0425/part07/run-mds.swift
Log:
Run multiple concurrent simulations


Copied: demo/xsede.2014.0425/part07/run-mds.sh (from rev 8141, demo/xsede.2014.0425/part07/run-md.sh)
===================================================================
--- demo/xsede.2014.0425/part07/run-mds.sh	                        (rev 0)
+++ demo/xsede.2014.0425/part07/run-mds.sh	2014-08-13 20:17:50 UTC (rev 8146)
@@ -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

Modified: demo/xsede.2014.0425/part07/run-mds.swift
===================================================================
--- demo/xsede.2014.0425/part07/run-mds.swift	2014-08-13 20:17:32 UTC (rev 8145)
+++ demo/xsede.2014.0425/part07/run-mds.swift	2014-08-13 20:17:50 UTC (rev 8146)
@@ -1,9 +1,17 @@
 
+import string;
+import sys;
+
 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);
+  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);
+  }
 }