]> www.hackdaworld.org Git - physik/posic.git/commitdiff
Makefile: clean everything, moldyn: add time info
authorhackbard <hackbard@sage.physik.uni-augsburg.de>
Mon, 10 Sep 2007 15:16:37 +0000 (17:16 +0200)
committerhackbard <hackbard@sage.physik.uni-augsburg.de>
Mon, 10 Sep 2007 15:16:37 +0000 (17:16 +0200)
Makefile
moldyn.c

index abffa6d2cb1befdf0259d122cbac9b1c474ac63d..bba7d4e9c2109b4043487d292f3a8301364f52d8 100644 (file)
--- a/Makefile
+++ b/Makefile
@@ -26,4 +26,4 @@ postproc: $(DEPS)
 
 .PHONY:clean
 clean:
 
 .PHONY:clean
 clean:
-       rm -f sic postproc fluctuation_calc
+       rm -vf sic postproc fluctuation_calc *.o */*.o
index e961ca23b45316fbf15b664b889e70dd1f9976bc..92c4e58f3d78957a03704c40fbe62af686155a9b 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -13,6 +13,8 @@
 #include <sys/stat.h>
 #include <fcntl.h>
 #include <unistd.h>
 #include <sys/stat.h>
 #include <fcntl.h>
 #include <unistd.h>
+#include <sys/time.h>
+#include <time.h>
 #include <math.h>
 
 #include "moldyn.h"
 #include <math.h>
 
 #include "moldyn.h"
@@ -1348,6 +1350,7 @@ int moldyn_integrate(t_moldyn *moldyn) {
        char dir[128];
        double ds;
        double energy_scale;
        char dir[128];
        double ds;
        double energy_scale;
+       struct timeval t1,t2;
        //double tp;
 
        sched=&(moldyn->schedule);
        //double tp;
 
        sched=&(moldyn->schedule);
@@ -1371,6 +1374,9 @@ int moldyn_integrate(t_moldyn *moldyn) {
        /* energy scaling factor */
        energy_scale=moldyn->count*EV;
 
        /* energy scaling factor */
        energy_scale=moldyn->count*EV;
 
+       /* get current time */
+       gettimeofday(&t1,NULL);
+
        /* calculate initial forces */
        potential_force_calc(moldyn);
 #ifdef DEBUG
        /* calculate initial forces */
        potential_force_calc(moldyn);
 #ifdef DEBUG
@@ -1484,12 +1490,19 @@ return 0;
 
                /* display progress */
                if(!(i%10)) {
 
                /* display progress */
                if(!(i%10)) {
-       printf("\rsched:%d, steps:%d, T:%3.1f/%3.1f P:%4.1f/%4.1f V:%6.1f",
+                       /* get current time */
+                       gettimeofday(&t2,NULL);
+
+       printf("\rsched:%d, steps:%d, T:%3.1f/%3.1f P:%4.1f/%4.1f V:%6.1f (%d)",
               sched->count,i,
               moldyn->t,moldyn->t_avg,
               moldyn->p_avg/BAR,moldyn->gp_avg/BAR,
               sched->count,i,
               moldyn->t,moldyn->t_avg,
               moldyn->p_avg/BAR,moldyn->gp_avg/BAR,
-              moldyn->volume);
+              moldyn->volume,
+              (int)(t2.tv_sec-t1.tv_sec));
        fflush(stdout);
        fflush(stdout);
+
+                       /* copy over time */
+                       t1=t2;
                }
 
                /* increase absolute time */
                }
 
                /* increase absolute time */