fix: reflect new file layout of .geom files in near_field

misc/near_field/Makefile

@@ -4,21 +4,22 @@
 #FC     = ifort
 #FFLAGS = -warn all -O3
 #MPIFC  = mpif90
-#LIBS   =
 #MPILIBS= -L/opt/hpmpi/lib/linux_64 -lmpi
 
 # ----- HP-UX
 #FC      = f90
 #MPIFC   = mpif90
 #FFLAGS  = +O3
-#LIBS    =
 #MPILIBS =  -L/opt/mpi/lib/hpux64/ -lmpio
 
 # ---- GNU Fortran Compiler
 FC     = gfortran
-FFLAGS = -O3 -ffast-math -funroll-loops $(EXTRA_FLAGS)
+# -ffast-math causes IEEE_INVALID_FLAG in checknfsymm, this is probably OK but safer is to skip this optimization
+FFLAGS = -O3 -funroll-loops $(EXTRA_FLAGS)
+# depending on your MPI implementation you may need one of the following (either special compiler wrapper, which takes
+# care of libraries), or standard compiler with explicit specification of MPI Fortran libraries
+# MPIFC = mpifort
 MPIFC  = $(FC)
-LIBS   =
 MPILIBS= -lfmpich2g
 # You might need something like the following on Windows (with MinGW)
 #MPILIBS += -I"C:/Program Files/MPICH2/include"

misc/near_field/RUNTESTS/box11/run

@@ -6,7 +6,6 @@ if [ $ERR -ne 0 ]; then
   echo "ADDA returned error $ERR"
   exit $ERR
 fi
-#grep "#@#" adda.out > commvar
 mv box.geom target
 echo '------------gendip--------------'
 ../../gendip > gendip.out

misc/near_field/RUNTESTS/coated/.gitignore

@@ -0,0 +1,9 @@
+*.xf
+*.xmgr
+inputl
+line_input
+line_points
+nearfield_line.DAT
+nearfield_[x-y][y-z].DAT
+plane_points_[x-y][y-z]
+plane_input_[x-y][y-z]

misc/near_field/RUNTESTS/coated/clean

@@ -0,0 +1,2 @@
+#!/bin/bash
+rm -f *.out *-X *-Y *.xf *_xy *.SAV *.DAT log mueller err.dat target *.xmgr inputl line_*

misc/near_field/RUNTESTS/coated/commvar

@@ -0,0 +1,3 @@
+15.707963 WAVENUM #@#
+0 0 1 DIRECTION    #@#
+0 1 0 POLARIZATION #@#

misc/near_field/RUNTESTS/coated/run

@@ -0,0 +1,61 @@
+#!/bin/bash
+echo '------------adda----------------'
+$ADDABIN -store_beam -store_dip_pol -save_geom -dir . -prop 0 0 1 -pol cm -lambda 0.400 -m 0.5 2 2 0.2 -shape coated 0.5 -eps 9 -dpl 100 -grid 16 &> adda.out
+ERR=$?
+if [ $ERR -ne 0 ]; then
+  echo "ADDA returned error $ERR"
+  exit $ERR
+fi
+mv coated.geom target
+echo '------------gendip-------------------'
+../../gendip > gendip.out
+echo '------------genplane-------------------'
+cat >plane_input_xy <<%EOF%
+    8.0 3
+    -20.0 35.0 55
+     -20.0 35.0 55
+%EOF%
+../../genplane < plane_input_xy > plane_points_xy
+echo '------------nearfield------------'
+cat >input_xy <<%EOF%
+DIPY.SAV
+400            ! lambda
+plane_points_xy
+nearfield_xy
+1 !eincflag
+0 !iformat 
+1 !debug
+0 !internal
+%EOF%
+$MPIEXEC ../../nearfield < input_xy > nearfield.out
+
+echo -------------verifying-------------
+../../checknfsymm < input_xy > checknfsymm.out
+
+echo ------------genline----------------
+cat > line_input <<%EOF%
+-10 7.5  7.5 
+25 7.5  7.5 
+-10 25 350
+%EOF%
+../../genline < line_input > line_points
+echo ------------nearfieldline----------
+cat >inputl <<%EOF%   
+DIPY.SAV  
+400            ! lambda
+line_points
+nearfield_line
+0 !eincflag
+0 !iformat
+0 !debug
+0 !internal
+%EOF%
+$MPIEXEC ../../nearfield < inputl > nearfieldl.out 
+
+grep ERROR gendip.out                     > err.dat
+grep ERROR nearfield.out   | grep -v _SZ >> err.dat 
+grep ERROR checknfsymm.out | grep -v _SZ >> err.dat
+awk '{ ZUM+=$3 } END { printf "%.12f\n", ZUM} ' err.dat
+
+paste nearfield_xy.DAT   nearfield_xy.DAT.ref   |  awk '{ SUM+=($4-$8)*($4-$8)} END { printf "%.12f\n", SUM}' 
+paste nearfield_line.DAT nearfield_line.DAT.ref |  awk '{ SUM+=($4-$8)*($4-$8)} END { printf "%.12f\n", SUM}'

misc/near_field/RUNTESTS/readsphere/run

@@ -7,7 +7,6 @@ if [ $ERR -ne 0 ]; then
   exit $ERR
 fi
 mv read.geom target
-#grep "#@#" adda.out > commvar
 echo '------------gendip-------------------'
 ../../gendip > gendip.out
 echo '------------genplane-------------------'

misc/near_field/RUNTESTS/sop/run

@@ -1,13 +1,12 @@
 #!/bin/bash
 echo '------------adda----------------'
-$ADDABIN  -store_beam -store_dip_pol -store_int_field  -save_geom -dir . -prop -1 0 0 -pol cm  -lambda 0.300 -m 0.5 5.0 -shape read target.in -eps 9 -size 0.030 &> adda.out
+$ADDABIN  -store_beam -store_dip_pol -store_int_field  -save_geom -dir . -prop -1 0 0 -pol cm  -lambda 0.300 -m 0.5 5.0 -shape read target.in -eps 9 -size 0.030 -grid 20 &> adda.out
 ERR=$?
 if [ $ERR -ne 0 ]; then
   echo "ADDA returned error $ERR"
   exit $ERR
 fi
 mv read.geom target
-#grep "#@#" adda.out > commvar
 echo '------------gendip-------------------'
 ../../gendip > gendip.out
 echo '------------genplane-------------------'

misc/near_field/RUNTESTS/sphereinternal/run

@@ -6,9 +6,8 @@ if [ $ERR -ne 0 ]; then
   echo "ADDA returned error $ERR"
   exit $ERR
 fi
-#grep "#@#" adda.out > commvar
 mv sphere.geom target
-tail -n+4 target > target.tmp
+grep -v '^#' target > target.tmp
 nump=`wc -l target.tmp`
 cat >hh <<%EOF%
 0

misc/near_field/gendip.f

@@ -46,7 +46,7 @@ subroutine createdip(fdipin,fdipout,iout,fbeam,ffie)
      &      bCXPL2I,bCXPL3R,bCXPL3I
 
          integer xi,yj,zk
-         integer OS
+         integer OS,skipped,line
          complex*16, allocatable :: CXPOL(:,:)
          complex*16, allocatable :: INCBEAM(:,:)
          complex*16, allocatable :: FIELD(:,:)
@@ -75,25 +75,29 @@ subroutine createdip(fdipin,fdipout,iout,fbeam,ffie)
          write(*,*) 'Reading target ...'
 !---------------------get number of dipoles-------------------------
          OS=0
+         skipped=0
          open(UNIT=3114,FILE='target',STATUS='OLD',ERR=900)
-         read(3114,*) 
-         read(3114,*)      
-         read(3114,*)
+!             both # and Nmat in the beginning of a line should cause error in the following
  399     read(3114,*,ERR=400,END=200) xi,yj,zk
-         goto 401
- 400          write(*,*) 'NMAT>1'
+         OS=OS+1
          goto 399
- 401          OS=OS+1
+ 400     if (OS.eq.0) then
+           skipped=skipped+1
+         else 
+           line=skipped+OS+1
+           write(*,*) ' ERROR!: Wrong format of target at line',line
+           stop
+         endif
          goto 399
  200     write(*,*) 'Readed Dipoles',OS
          close(3114)
 
 !-------------------------------------------------------------------
          write(*,*) 
          open(UNIT=3114,FILE='target',STATUS='OLD',ERR=900)
-         read(3114,*) 
-         read(3114,*)
-         read(3114,*)
+         do i=1,skipped
+           read(3114,*)
+         enddo
 
          iext=0
          open(UNIT=3115,FILE=fbeam,STATUS='OLD',iostat=iosb)