[Swift-commit] r8137 - SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md

[wozniak at ci.uchicago.edu]

Author: wozniak
Date: 2014-08-13 12:10:42 -0500 (Wed, 13 Aug 2014)
New Revision: 8137

Modified:
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/Makefile
   SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.c
Log:
Make TRJ output time an integer


Modified: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/Makefile
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/Makefile	2014-08-13 16:59:15 UTC (rev 8136)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/Makefile	2014-08-13 17:10:42 UTC (rev 8137)
@@ -1,18 +1,40 @@
 bin = md
 
 CC = gcc
+INCLUDES := 
 OPTZ = -O0 
 OPTS = -O3 -ffast-math
-CFLAGS = $(OPTZ) -g -fPIC -std=gnu99
+CFLAGS = $(OPTZ) -g -fPIC -std=gnu99 $(INCLUDES)
 
 SRC = main.c md.c 
 OBJ = $(patsubst %.c,%.o,$(SRC))
 
+
+
 all: $(bin)
 
+# Link stand-alone executable: 
 $(bin): $(OBJ)
 	$(CC) -o $(@) $(OBJ) -lm
 
+# Swift/T integration: 
+
+USE_SWIFT = 1
+ifeq ($(USE_SWIFT),1)
+
+TCL_HOME = $(HOME)/sfw/tcl-8.6.0
+INCLUDES += -I $(TCL_HOME)/include
+
+swift-pkg: libtclmd.so
+
+md_wrap.c: md.i
+	swig $(<)
+
+libtclmd.so: md_wrap.o $(OBJ)
+	gcc -shared -o $(@) $(^) -L $(TCL_HOME)/lib -l tcl8.6 
+
+endif
+
 .PHONY: clean
 clean:
 	rm -f $(OBJ) $(bin)
@@ -24,3 +46,4 @@
 .PHONY: uninstall
 uninstall:
 	rm -f ../../bin/$(bin)
+

Modified: SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.c
===================================================================
--- SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.c	2014-08-13 16:59:15 UTC (rev 8136)
+++ SwiftTutorials/ATPESC_2014-08-14/swift-t/examples/05-md/md.c	2014-08-13 17:10:42 UTC (rev 8137)
@@ -15,7 +15,7 @@
 double r8_uniform_01 ( int *seed );
 void update ( int np, int nd, double pos[], double vel[], double f[],
   double acc[], double mass, double dt );
-void snap ( int np, int nd, double t, double pos[], double vel[], double f[],
+void snap ( int np, int nd, int t, double pos[], double vel[], double f[],
   double acc[], double mass, double dt );
 
 static void snap_file_open(void);
@@ -103,7 +103,7 @@
                 ( potential + kinetic - e0 ) / e0 );
       step_print_index = step_print_index + 1;
       step_print = ( step_print_index * step_num ) / step_print_num;
-      snap (np, nd, step*dt, pos, vel, force, acc, mass, dt );
+      snap (np, nd, step, pos, vel, force, acc, mass, dt );
     }
     update ( np, nd, pos, vel, force, acc, mass, dt );
   }
@@ -596,14 +596,14 @@
   snap_file = NULL;
 }
 
-void snap ( int np, int nd, double t, double pos[], double vel[], double f[],
+void snap ( int np, int nd, int t, double pos[], double vel[], double f[],
   double acc[], double mass, double dt )
 {
   int j;
 
   for ( j = 0; j < np; j++ )
   {
-    fprintf(snap_file, "%f s %f %f %f %s\n",
+    fprintf(snap_file, "%i s %f %f %f %s\n",
             t, scale(pos[0+j*nd]), scale(pos[1+j*nd]), scale(pos[2+j*nd]), printinfo);
   }