From dd5acac9147ee4e7a5b90f26953c19497626b945 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Wed, 30 Apr 2014 12:13:24 +0000
Subject: [PATCH] Debugged so it does not segfaults. It seems it keeps volume constant in one timestep, but it fails to do so after inner loop.
---
src/timestep.c | 1 -
src/tape | 2 +-
src/bondflip.c | 53 ++++++++++++++++++++++++++++++-----------------------
src/vertexmove.c | 4 ++++
4 files changed, 35 insertions(+), 25 deletions(-)
diff --git a/src/bondflip.c b/src/bondflip.c
index 1a21d92..3a31a28 100644
--- a/src/bondflip.c
+++ b/src/bondflip.c
@@ -170,6 +170,10 @@
//Neigbours of k, it, km, kp don't change its energy.
if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){dvol = -lm->volume - lp->volume;}
+
+/* vesicle_volume(vesicle);
+ fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
+*/
/* fix data structure for flipped bond */
ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1);
@@ -190,32 +194,31 @@
}
if(vesicle->tape->constvolswitch == 1){
- retval=constvolume(vesicle, it, dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
+ retval=constvolume(vesicle, it, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
if(retval==TS_FAIL){
/* restoration procedure copied from few lines below */
- for(i=0;i<4;i++){
-// fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
- free(orig_vtx[i]->neigh);
- free(orig_vtx[i]->tristar);
- free(orig_vtx[i]->bond);
- free(orig_tria[i]->neigh);
- memcpy((void *)orig_vtx[i],(void *)bck_vtx[i],sizeof(ts_vertex));
- memcpy((void *)orig_tria[i],(void *)bck_tria[i],sizeof(ts_triangle));
-// fprintf(stderr,"Restored vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
- /* level 2 pointers are redirected*/
- }
- memcpy(bond,bck_bond,sizeof(ts_bond));
- for(i=0;i<4;i++){
- free(bck_vtx[i]);
- free(bck_tria[i]);
-/* fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d =",i, orig_vtx[i]->neigh_no );
- for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
- fprintf(stderr,"\n"); */
- }
- free(bck_bond);
- return TS_FAIL;
+ for(i=0;i<4;i++){
+ // fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
+ free(orig_vtx[i]->neigh);
+ free(orig_vtx[i]->tristar);
+ free(orig_vtx[i]->bond);
+ free(orig_tria[i]->neigh);
+ memcpy((void *)orig_vtx[i],(void *)bck_vtx[i],sizeof(ts_vertex));
+ memcpy((void *)orig_tria[i],(void *)bck_tria[i],sizeof(ts_triangle));
+ // fprintf(stderr,"Restored vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
+ /* level 2 pointers are redirected*/
+ }
+ memcpy(bond,bck_bond,sizeof(ts_bond));
+ for(i=0;i<4;i++){
+ free(bck_vtx[i]);
+ free(bck_tria[i]);
+ /* fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d =",i, orig_vtx[i]->neigh_no );
+ for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
+ fprintf(stderr,"\n"); */
+ }
+ free(bck_bond);
+ return TS_FAIL;
}
-
delta_energy+=delta_energy_cv;
}
@@ -263,6 +266,8 @@
free(bck_bond);
// fprintf(stderr,"Restoration complete!!!\n");
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
return TS_FAIL;
}
@@ -288,6 +293,8 @@
}
free(bck_bond);
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume after success=%1.16e\n", vesicle->volume);
return TS_SUCCESS;
}
diff --git a/src/tape b/src/tape
index 3c6bcb7..62074d5 100644
--- a/src/tape
+++ b/src/tape
@@ -18,7 +18,7 @@
#Constant volume constraint (0 disable constant volume, 1 enable)
constvolswitch=1
-constvolprecision=1e-16
+constvolprecision=1e-14
####### Polymer (brush) definitions ###########
diff --git a/src/timestep.c b/src/timestep.c
index 9001639..7fd321c 100644
--- a/src/timestep.c
+++ b/src/timestep.c
@@ -105,7 +105,6 @@
//find a bond and return a pointer to a bond...
//call single_bondflip_timestep...
retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec);
- retval=TS_FAIL;
if(retval==TS_SUCCESS) bfsrcnt++;
}
diff --git a/src/vertexmove.c b/src/vertexmove.c
index 36cf993..cecb73e 100644
--- a/src/vertexmove.c
+++ b/src/vertexmove.c
@@ -174,6 +174,8 @@
constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
}
// fprintf(stderr, "after vtx(x,y,z)=%e,%e,%e\n",constvol_vtx_moved->x, constvol_vtx_moved->y, constvol_vtx_moved->z);
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
return TS_FAIL;
}
}
@@ -192,6 +194,8 @@
}
// if(oldcellidx);
//END MONTE CARLOOOOOOO
+// vesicle_volume(vesicle);
+// fprintf(stderr,"Volume after success=%1.16e\n", vesicle->volume);
return TS_SUCCESS;
}
--
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