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Fixes -> double type and sync noacc <-> normal version
1 parent 979a581 commit f74af2e

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4 files changed

+111
-20
lines changed

4 files changed

+111
-20
lines changed

‎mcstas-comps/monitors/Monitor_nD.comp‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -405,7 +405,7 @@ TRACE
405405
double t1 = 0;
406406
int pp;
407407
int intersect = 0;
408-
double pixID = -1; // Used to carry pixel ID from trace function to comp scope
408+
double pixID; // Used to carry pixel ID from trace function to comp scope
409409
char Flag_Restore = 0;
410410

411411
#ifdef OPENACC

‎mcstas-comps/monitors/Monitor_nD_noacc.comp‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -408,7 +408,7 @@ TRACE
408408
double t1 = 0;
409409
int pp;
410410
int intersect = 0;
411-
double pixID = -1; // Used to carry pixel ID from trace function to comp scope
411+
double pixID; // Used to carry pixel ID from trace function to comp scope
412412
char Flag_Restore = 0;
413413

414414
#define thread_offdata offdata

‎mcstas-comps/share/monitor_nd-lib.c‎

Lines changed: 5 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1178,7 +1178,8 @@ int Monitor_nD_Trace(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Var
11781178
}
11791179
if (!flag_outside) {
11801180
Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)] = Coord[i];
1181-
pixID=Coord[i];
1181+
printf("Setting pixel ID to %g\n",Coord[i]);
1182+
*pixID=Coord[i];
11821183
}
11831184
} /* end if PixelID */
11841185
}
@@ -1370,7 +1371,9 @@ int Monitor_nD_Trace(MonitornD_Defines_type *DEFS, MonitornD_Variables_type *Var
13701371
XY += Coord_Index[j]*Vars->Coord_BinProd[j-1];
13711372
}
13721373
if (Vars->Flag_mantid && Vars->Flag_OFF && Vars->OFF_polyidx >=0) XY=Vars->OFF_polyidx;
1373-
if (!flag_outside) XY += Vars->Coord_Min[i];
1374+
if (!flag_outside) {
1375+
XY += Vars->Coord_Min[i];
1376+
}
13741377
}
13751378

13761379
/* handle 'abs' and 'log' keywords */

‎mcstas-comps/share/monitor_nd_noacc-lib.c‎

Lines changed: 104 additions & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -712,7 +712,7 @@ void Monitor_nd_noaccInit(Monitornd_noaccDefines_type *DEFS,
712712
{ /* Dim : (Vars->Coord_Number+1)*Vars->Buffer_Block matrix (for p, dp) */
713713
Vars->Mon2D_Buffer = (double *)malloc((Vars->Coord_Number+1)*Vars->Buffer_Block*sizeof(double));
714714
if (Vars->Mon2D_Buffer == NULL)
715-
{ printf("Monitor_nD: %s cannot allocate Vars->Mon2D_Buffer (%li). No list and auto limits.\n", Vars->compcurname, Vars->Buffer_Block*(Vars->Coord_Number+1)*sizeof(double)); Vars->Flag_List = 0; Vars->Flag_Auto_Limits = 0; }
715+
{ printf("Monitor_nD: %s cannot allocate Vars->Mon2D_Buffer (%zi). No list and auto limits.\n", Vars->compcurname, Vars->Buffer_Block*(Vars->Coord_Number+1)*sizeof(double)); Vars->Flag_List = 0; Vars->Flag_Auto_Limits = 0; }
716716
else
717717
{
718718
for (i=0; i < (Vars->Coord_Number+1)*Vars->Buffer_Block; Vars->Mon2D_Buffer[i++] = (double)0);
@@ -727,14 +727,14 @@ void Monitor_nd_noaccInit(Monitornd_noaccDefines_type *DEFS,
727727
Vars->Mon2D_p = (double **)malloc((Vars->Coord_Number)*sizeof(double *));
728728
Vars->Mon2D_p2 = (double **)malloc((Vars->Coord_Number)*sizeof(double *));
729729
if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL))
730-
{ fprintf(stderr,"Monitor_nD: %s n1D cannot allocate Vars->Mon2D_N/p/p2 (%li). Fatal.\n", Vars->compcurname, (Vars->Coord_Number)*sizeof(double *)); exit(-1); }
730+
{ fprintf(stderr,"Monitor_nD: %s n1D cannot allocate Vars->Mon2D_N/p/p2 (%zi). Fatal.\n", Vars->compcurname, (Vars->Coord_Number)*sizeof(double *)); exit(-1); }
731731
for (i= 1; i <= Vars->Coord_Number; i++)
732732
{
733733
Vars->Mon2D_N[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double));
734734
Vars->Mon2D_p[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double));
735735
Vars->Mon2D_p2[i-1] = (double *)malloc(Vars->Coord_Bin[i]*sizeof(double));
736736
if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL))
737-
{ fprintf(stderr,"Monitor_nD: %s n1D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%li). Fatal.\n", Vars->compcurname, Vars->Coord_Var[i], i, (Vars->Coord_Bin[i])*sizeof(double *)); exit(-1); }
737+
{ fprintf(stderr,"Monitor_nD: %s n1D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[i], i, (Vars->Coord_Bin[i])*sizeof(double *)); exit(-1); }
738738
else
739739
{
740740
for (j=0; j < Vars->Coord_Bin[i]; j++ )
@@ -749,14 +749,14 @@ void Monitor_nd_noaccInit(Monitornd_noaccDefines_type *DEFS,
749749
Vars->Mon2D_p = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *));
750750
Vars->Mon2D_p2 = (double **)malloc((Vars->Coord_Bin[1])*sizeof(double *));
751751
if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL))
752-
{ fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2 (%li). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], (Vars->Coord_Bin[1])*sizeof(double *)); exit(-1); }
752+
{ fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2 (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], (Vars->Coord_Bin[1])*sizeof(double *)); exit(-1); }
753753
for (i= 0; i < Vars->Coord_Bin[1]; i++)
754754
{
755755
Vars->Mon2D_N[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double));
756756
Vars->Mon2D_p[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double));
757757
Vars->Mon2D_p2[i] = (double *)malloc(Vars->Coord_Bin[2]*sizeof(double));
758758
if ((Vars->Mon2D_N == NULL) || (Vars->Mon2D_p == NULL) || (Vars->Mon2D_p2 == NULL))
759-
{ fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%li). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], i, (Vars->Coord_Bin[2])*sizeof(double *)); exit(-1); }
759+
{ fprintf(stderr,"Monitor_nD: %s 2D cannot allocate %s Vars->Mon2D_N/p/p2[%li] (%zi). Fatal.\n", Vars->compcurname, Vars->Coord_Var[1], i, (Vars->Coord_Bin[2])*sizeof(double *)); exit(-1); }
760760
else
761761
{
762762
for (j=0; j < Vars->Coord_Bin[2]; j++ )
@@ -810,6 +810,82 @@ void Monitor_nd_noaccInit(Monitornd_noaccDefines_type *DEFS,
810810
if(mpi_node_rank == mpi_node_root) {
811811
#endif
812812
if(nxhandle) {
813+
814+
/* This section of code writes detector shape information to
815+
entryN/instrument/components/'name'/geometry in the NeXus file */
816+
817+
char nexuscomp[CHAR_BUF_LENGTH];
818+
char pref[5];
819+
if (Vars->compcurindex-1 < 10) {
820+
sprintf(pref,"000");
821+
} else if (Vars->compcurindex-1 < 100) {
822+
sprintf(pref,"00");
823+
} else if (Vars->compcurindex-1 < 1000) {
824+
sprintf(pref,"0");
825+
} else if (Vars->compcurindex-1 < 10000) {
826+
sprintf(pref,"");
827+
} else {
828+
fprintf(stderr,"Error, no support for > 10000 comps at the moment!\n");
829+
exit(-1);
830+
}
831+
sprintf(nexuscomp,"%s%d_%s",pref,Vars->compcurindex-1,Vars->compcurname);
832+
833+
if (NXopengroup(nxhandle, "instrument", "NXinstrument") == NX_OK) {
834+
if (NXopengroup(nxhandle, "components", "NXdata") == NX_OK) {
835+
if (NXopengroup(nxhandle, nexuscomp, "NXdata") == NX_OK) {
836+
if (NXmakegroup(nxhandle, "Geometry", "NXdata") == NX_OK) {
837+
if (NXopengroup(nxhandle, "Geometry", "NXdata") == NX_OK) {
838+
char tmp[CHAR_BUF_LENGTH];
839+
sprintf(tmp,"%g",Vars->Sphere_Radius);
840+
nxprintattr(nxhandle, "radius", tmp);
841+
842+
sprintf(tmp,"%g",Vars->Cylinder_Height);
843+
nxprintattr(nxhandle, "height", tmp);
844+
845+
sprintf(tmp,"%g",Vars->mxmin);
846+
nxprintattr(nxhandle, "xmin", tmp);
847+
sprintf(tmp,"%g",Vars->mxmax);
848+
nxprintattr(nxhandle, "xmax", tmp);
849+
850+
sprintf(tmp,"%g",Vars->mymin);
851+
nxprintattr(nxhandle, "ymin", tmp);
852+
sprintf(tmp,"%g",Vars->mymax);
853+
nxprintattr(nxhandle, "ymax", tmp);
854+
855+
sprintf(tmp,"%g",Vars->mzmin);
856+
nxprintattr(nxhandle, "zmin", tmp);
857+
sprintf(tmp,"%g",Vars->mzmax);
858+
nxprintattr(nxhandle, "zmax", tmp);
859+
860+
sprintf(tmp,"%g",Vars->mzmin);
861+
nxprintattr(nxhandle, "zmin", tmp);
862+
sprintf(tmp,"%g",Vars->mzmax);
863+
nxprintattr(nxhandle, "zmax", tmp);
864+
865+
sprintf(tmp,"%i",Vars->Flag_Shape);
866+
nxprintattr(nxhandle, "Shape identifier", tmp);
867+
sprintf(tmp,"%s",Vars->Monitor_Label);
868+
nxprintattr(nxhandle, "Shape string", tmp);
869+
sprintf(tmp,"%s",Vars->option);
870+
nxprintattr(nxhandle, "Option string", tmp);
871+
872+
NXclosegroup(nxhandle); // Geometry
873+
} else {
874+
printf("Failed to open component NeXus component Geometry group\n");
875+
}
876+
} else {
877+
printf("Failed to create component NeXus component Geometry group\n");
878+
}
879+
NXclosegroup(nxhandle); // component
880+
}
881+
NXclosegroup(nxhandle); // components
882+
} else {
883+
printf("Failed to open NeXus component hierarchy\n");
884+
}
885+
NXclosegroup(nxhandle); // instrument
886+
}
887+
888+
/* Below code communicates geometry-oriented "BINS" for the detector. */
813889
char metadata[CHAR_BUF_LENGTH];
814890
char metadatatmp[CHAR_BUF_LENGTH];
815891
// Vars for 1D, >3D, OFF
@@ -820,9 +896,17 @@ void Monitor_nd_noaccInit(Monitornd_noaccDefines_type *DEFS,
820896
char binvar[CHAR_BUF_LENGTH];
821897
sprintf(binlabel,"none");
822898
sprintf(binvar,"none");
823-
long pix=Vars->Coord_Min[Vars->Coord_Number-1]; // Second to last col is min. pixel id
824899

900+
// Find index of pixel column
901+
int id_index;
902+
for (id_index=0;id_index<30;id_index++) {
903+
if (strcmp(Vars->Coord_Var[id_index], "id") == 0) break;
904+
}
905+
if (id_index == 30) id_index = Vars->Coord_Number-1; // Revert to earlier behavior is id not found
906+
long pix=Vars->Coord_Min[id_index];
907+
825908
MCDETECTOR detector;
909+
826910
/* Init - perhaps better with an init-function in mccode-r? */
827911
detector.m = 0;
828912
detector.xmin = 0;
@@ -857,7 +941,7 @@ void Monitor_nd_noaccInit(Monitornd_noaccDefines_type *DEFS,
857941

858942
if(!Vars->Flag_OFF) {
859943

860-
sprintf(metadata,"id=%ld + %ld pixels: ",(long)Vars->Coord_Min[Vars->Coord_Number-1],(long)Vars->Coord_BinProd[Vars->Coord_Number]);
944+
sprintf(metadata,"id=%ld + %ld pixels: ",(long)Vars->Coord_Min[id_index],(long)Vars->Coord_BinProd[Vars->Coord_Number]);
861945
for (i=1; i<N_spatial_dims; i++) {
862946
sprintf(metadatatmp,"%s %s (%ld bins) x ",metadata,Vars->Coord_Label[i],Vars->Coord_Bin[i]);
863947
sprintf(metadata,"%s",metadatatmp);
@@ -999,9 +1083,6 @@ int Monitor_nd_noaccTrace(Monitornd_noaccDefines_type *DEFS, Monitornd_noaccVari
9991083
char While_End =0;
10001084
long While_Buffer=0;
10011085
char Set_Vars_Coord_Type = DEFS->COORD_NONE;
1002-
1003-
long long ParticleCount;
1004-
ParticleCount=Vars->Neutron_Counter++;
10051086

10061087
/* the logic below depends mainly on:
10071088
Flag_List: 1=store 1 buffer, 2=list all, 3=re-use buffer
@@ -1051,7 +1132,10 @@ int Monitor_nd_noaccTrace(Monitornd_noaccDefines_type *DEFS, Monitornd_noaccVari
10511132
Vars->Mon2D_Buffer = (double *)realloc(Vars->Mon2D_Buffer, (Vars->Coord_Number+1)*(ParticleCount+Vars->Buffer_Block)*sizeof(double));
10521133
if (Vars->Mon2D_Buffer == NULL)
10531134
{ printf("Monitor_nD: %s cannot reallocate Vars->Mon2D_Buffer[%li] (%li). Skipping.\n", Vars->compcurname, i, (long int)(ParticleCount+Vars->Buffer_Block)*sizeof(double)); Vars->Flag_List = 1; }
1054-
else { Vars->Buffer_Counter = 0; Vars->Buffer_Size = ParticleCount+Vars->Buffer_Block; }
1135+
else {
1136+
Vars->Buffer_Block = 2*Vars->Buffer_Block;
1137+
Vars->Buffer_Size = Vars->Buffer_Block;
1138+
}
10551139
}
10561140
} /* end if Buffer realloc */
10571141
#endif
@@ -1102,7 +1186,8 @@ int Monitor_nd_noaccTrace(Monitornd_noaccDefines_type *DEFS, Monitornd_noaccVari
11021186
}
11031187
if (!flag_outside) {
11041188
Vars->Mon2D_Buffer[i+While_Buffer*(Vars->Coord_Number+1)] = Coord[i];
1105-
pixID=Coord[i];
1189+
printf("Setting pixel ID to %g\n",Coord[i]);
1190+
*pixID=Coord[i];
11061191
}
11071192
} /* end if PixelID */
11081193
}
@@ -1294,7 +1379,9 @@ int Monitor_nd_noaccTrace(Monitornd_noaccDefines_type *DEFS, Monitornd_noaccVari
12941379
XY += Coord_Index[j]*Vars->Coord_BinProd[j-1];
12951380
}
12961381
if (Vars->Flag_mantid && Vars->Flag_OFF && Vars->OFF_polyidx >=0) XY=Vars->OFF_polyidx;
1297-
if (!flag_outside) XY += Vars->Coord_Min[i];
1382+
if (!flag_outside) {
1383+
XY += Vars->Coord_Min[i];
1384+
}
12981385
}
12991386

13001387
/* handle 'abs' and 'log' keywords */
@@ -1386,9 +1473,8 @@ int Monitor_nd_noaccTrace(Monitornd_noaccDefines_type *DEFS, Monitornd_noaccVari
13861473
{
13871474
for (i = 0; i <= Vars->Coord_Number; i++)
13881475
{
1389-
Vars->Mon2D_Buffer[i + ParticleCount*(Vars->Coord_Number+1)] = Coord[i];
1476+
Vars->Mon2D_Buffer[i + Vars->Buffer_Counter*(Vars->Coord_Number+1)] = Coord[i];
13901477
}
1391-
#pragma acc atomic
13921478
Vars->Buffer_Counter = Vars->Buffer_Counter + 1;
13931479
if (Vars->Flag_Verbose && (Vars->Buffer_Counter >= Vars->Buffer_Block) && (Vars->Flag_List == 1))
13941480
printf("Monitor_nD: %s %li neutrons stored in List.\n", Vars->compcurname, Vars->Buffer_Counter);
@@ -1410,6 +1496,8 @@ int Monitor_nd_noaccTrace(Monitornd_noaccDefines_type *DEFS, Monitornd_noaccVari
14101496
}else{
14111497
return -1;
14121498
}
1499+
} else {
1500+
14131501
}
14141502
return 1;
14151503
} /* end Monitor_nd_noaccTrace */
@@ -1716,7 +1804,7 @@ MCDETECTOR Monitor_nd_noaccSave(Monitornd_noaccDefines_type *DEFS, Monitornd_noa
17161804
p2m = (double *)malloc(Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double));
17171805
if (p2m == NULL)
17181806
{
1719-
if (Vars->Flag_Verbose) printf("Monitor_nD: %s cannot allocate memory for 2D array (%li). Skipping.\n", Vars->compcurname, 3*Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double));
1807+
if (Vars->Flag_Verbose) printf("Monitor_nD: %s cannot allocate memory for 2D array (%zi). Skipping.\n", Vars->compcurname, 3*Vars->Coord_Bin[1]*Vars->Coord_Bin[2]*sizeof(double));
17201808
/* comment out 'free memory' lines to avoid loosing arrays if
17211809
'detector' structure is used by other instrument parts
17221810
if (p0m != NULL) free(p0m);

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