added Kinniburgh memory leak project

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@5004 1feff8c3-07ed-0310-ac33-dd36852eb9cd

IPhreeqc.sln

@@ -25,6 +25,8 @@ Project("{6989167D-11E4-40FE-8C1A-2192A86A7E90}") = "test_f", "tests\test_f.vfpr
 		{F9C18E06-F73A-4EB0-92E0-AE1713EA7FD7} = {F9C18E06-F73A-4EB0-92E0-AE1713EA7FD7}
 	EndProjectSection
 EndProject
+Project("{6989167D-11E4-40FE-8C1A-2192A86A7E90}") = "memory_leak_f", "memory_leak_f\memory_leak_f.vfproj", "{941BC4D5-7D05-4786-BC65-38914514EA9B}"
+EndProject
 Global
 	GlobalSection(SolutionConfigurationPlatforms) = preSolution
 		Debug|Win32 = Debug|Win32
@@ -127,6 +129,18 @@ Global
 		{66E68C3F-EFCE-47EE-80F1-4D8F6F8AB450}.ReleaseDll|Win32.Build.0 = ReleaseDll|Win32
 		{66E68C3F-EFCE-47EE-80F1-4D8F6F8AB450}.ReleaseDll|x64.ActiveCfg = ReleaseDll|x64
 		{66E68C3F-EFCE-47EE-80F1-4D8F6F8AB450}.ReleaseDll|x64.Build.0 = ReleaseDll|x64
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.Debug|Win32.ActiveCfg = Debug|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.Debug|Win32.Build.0 = Debug|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.Debug|x64.ActiveCfg = Debug|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.DebugDll|Win32.ActiveCfg = Debug|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.DebugDll|Win32.Build.0 = Debug|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.DebugDll|x64.ActiveCfg = Debug|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.Release|Win32.ActiveCfg = Release|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.Release|Win32.Build.0 = Release|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.Release|x64.ActiveCfg = Release|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.ReleaseDll|Win32.ActiveCfg = Release|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.ReleaseDll|Win32.Build.0 = Release|Win32
+		{941BC4D5-7D05-4786-BC65-38914514EA9B}.ReleaseDll|x64.ActiveCfg = Release|Win32
 	EndGlobalSection
 	GlobalSection(SolutionProperties) = preSolution
 		HideSolutionNode = FALSE

memory_leak_f/init.f90

@@ -0,0 +1,117 @@
+MODULE init
+
+IMPLICIT NONE
+
+PRIVATE
+PUBLIC :: line, lineorig, new_phreeqc_id, readinput, replacestring, cx, cy
+
+INTEGER(KIND=4) :: ID_IPHREEQC(2),thisid1, thisid2
+CHARACTER(LEN=160), DIMENSION(120) :: line = ""
+CHARACTER(LEN=160), DIMENSION(120) :: lineorig = ""
+CHARACTER(LEN=32) :: cx, cy
+
+
+contains
+
+!**************************************************************************************************
+
+SUBROUTINE readinput(n)
+
+INTEGER, INTENT(OUT) :: n
+INTEGER :: ios
+
+OPEN (UNIT = 11, FILE = 'test_memory_leak.pqi', STATUS = 'OLD', IOSTAT = ios)
+
+IF (ios.NE.0)  STOP 'Could not open input file'
+
+n = 1
+
+DO
+
+  READ (UNIT = 11, FMT = '(A)', IOSTAT=ios) lineorig(n)
+  IF (ios.EQ.-1) EXIT
+  IF (ios.NE.0)  STOP 'File error.'
+  n = n + 1
+
+ENDDO
+
+n = n - 1
+
+CLOSE (UNIT = 11)
+
+IF (n.GT.0) then
+  line(1:n) = lineorig(1:n)
+ELSE
+  STOP 'no chemical input.'
+ENDIF
+
+END SUBROUTINE readinput
+
+!**************************************************************************************************
+
+FUNCTION new_phreeqc_id()
+
+INCLUDE 'IPhreeqc.f90.inc'
+
+INTEGER(KIND=4) :: new_phreeqc_id
+
+new_phreeqc_id = CreateIPhreeqc()
+
+END FUNCTION new_phreeqc_id
+
+!**************************************************************************************************
+
+ SUBROUTINE replacestring(string, targetstring, newstring)
+ 
+! replace all occurrences of targetstring with newstring
+! trailing blanks (as per TRIM) in targetstring and newstring are removed
+! ie cannot be used to replace one blank with two blanks
+ 
+ IMPLICIT NONE
+!
+! Dummy arguments
+!
+ CHARACTER(*) ::  string, targetstring, newstring
+ INTENT (IN) newstring, targetstring
+ INTENT (INOUT) string
+!
+! Local variables
+!
+ INTEGER :: len_string, len_target, len_newstring, index_target
+ 
+ ! first check for trivial cases of 'no change'
+ IF (TRIM(targetstring).EQ.'' .OR. newstring.EQ.targetstring) RETURN
+ 
+ index_target = 1
+ 
+ len_string = LEN_TRIM(string)
+ len_target = LEN_TRIM(targetstring)
+ len_newstring = LEN_TRIM(newstring)
+
+ DO WHILE (index_target.GT.0 .AND. index_target.LE.len_string) 
+    len_string = LEN_TRIM(string)
+    IF (len_target.GT.0) THEN
+      index_target = INDEX(string,TRIM(targetstring))
+    ELSE
+      index_target = INDEX(string,TRIM(targetstring))
+    ENDIF
+    IF (len_newstring.GT.0) THEN
+        IF (index_target.GT.1) THEN
+           string = string(1:index_target-1)//TRIM(newstring)//string(index_target+len_target:)
+        ELSEIF (index_target.EQ.1) THEN
+           string = TRIM(newstring)//string(1+len_target:)
+        ENDIF
+    ELSE
+       IF (index_target.GT.1) THEN
+         string = string(1:index_target-1)//string(index_target+len_target:)
+       ELSEIF (index_target.EQ.1) then
+         string = string(1+len_target:)
+       ENDIF
+    ENDIF 
+ 
+ ENDDO
+
+ END SUBROUTINE replacestring
+
+
+END MODULE init

memory_leak_f/memory_leak_f.vfproj

@@ -0,0 +1,32 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<VisualStudioProject ProjectCreator="Intel Fortran" Keyword="Console Application" Version="11.0" ProjectIdGuid="{941BC4D5-7D05-4786-BC65-38914514EA9B}">
+	<Platforms>
+		<Platform Name="Win32"/></Platforms>
+	<Configurations>
+		<Configuration Name="Debug|Win32">
+				<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" DebugInformationFormat="debugEnabled" Optimization="optimizeDisabled" AdditionalIncludeDirectories="../include" Interfaces="true" WarnInterfaces="true" Traceback="true" BoundsCheck="true" RuntimeLibrary="rtMultiThreadedDebug"/>
+				<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="../lib" GenerateDebugInformation="true" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqcd.lib"/>
+				<Tool Name="VFResourceCompilerTool"/>
+				<Tool Name="VFMidlTool" SuppressStartupBanner="true"/>
+				<Tool Name="VFCustomBuildTool"/>
+				<Tool Name="VFPreLinkEventTool"/>
+				<Tool Name="VFPreBuildEventTool"/>
+				<Tool Name="VFPostBuildEventTool"/>
+				<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration>
+		<Configuration Name="Release|Win32">
+				<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" AdditionalIncludeDirectories="../include"/>
+				<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="../lib" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqc.lib"/>
+				<Tool Name="VFResourceCompilerTool"/>
+				<Tool Name="VFMidlTool" SuppressStartupBanner="true"/>
+				<Tool Name="VFCustomBuildTool"/>
+				<Tool Name="VFPreLinkEventTool"/>
+				<Tool Name="VFPreBuildEventTool"/>
+				<Tool Name="VFPostBuildEventTool"/>
+				<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration></Configurations>
+	<Files>
+		<Filter Name="Header Files" Filter="fi;fd"/>
+		<Filter Name="Resource Files" Filter="rc;ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"/>
+		<Filter Name="Source Files" Filter="f90;for;f;fpp;ftn;def;odl;idl">
+		<File RelativePath=".\init.f90"/>
+		<File RelativePath=".\test_memory_leak.f90"/></Filter></Files>
+	<Globals/></VisualStudioProject>

memory_leak_f/test_memory_leak.f90

@@ -0,0 +1,119 @@
+
+
+!**************************************************************************************************
+
+
+PROGRAM test_memory_leak
+
+USE init
+
+INCLUDE "IPhreeqc.f90.inc"
+
+REAL*8  :: xmin, xmax, ymin, ymax, dx, dy, x, y
+INTEGER :: nstep, i, ii, nlines, nt = 0, ios
+INTEGER :: id1, accumstat=0, nerr=0, nrow=0, ncol=0
+
+INTEGER(4) :: v
+REAL(8) :: d, c
+CHARACTER(80) :: s, species, mainspecies
+
+OPEN(UNIT=13, file='test_memory_leak.log', STATUS='UNKNOWN', IOSTAT = ios)
+IF (ios.NE.0) STOP 'Could not open log file'
+
+id1 = new_phreeqc_id()
+
+nerr = SetSelectedOutputFileOn(id1,.TRUE.)
+nerr = SetOutputFileOn(id1,.TRUE.)
+nerr = SetDumpFileOn(id1,.TRUE.)
+nerr = SetErrorFileOn(id1,.TRUE.)
+nerr = SetLogFileOn(id1,.TRUE.)
+
+nerr = LoadDatabase(id1,'wateq4f.dat')
+IF (nerr.GE.1) THEN
+   PRINT *, nerr,' errors reading the database.'
+   STOP
+ENDIF
+
+CALL readinput(nlines)
+
+LINE(:) = LINEORIG(:)
+
+xmin = 2
+xmax = 7
+
+ymin = -80
+ymax = 0
+
+!dx = 0.01d0
+!nstep = (xmax-xmin)/dx + 1
+
+nstep = 20
+
+dx = (xmax-xmin)/FLOAT(nstep)
+dy = (ymax-ymin)/FLOAT(nstep)
+
+mainspecies ="Fe"
+
+DO y = ymin, ymax, dy
+    DO x = xmin, xmax, dx
+
+      nt = nt + 1
+
+      WRITE (cx,'(ES20.12)') x
+      WRITE (cy,'(ES20.12)') y
+
+      DO i = 1, nlines
+         IF (INDEX(line(i),'<x_axis>')>0) THEN
+           CALL replacestring(line(i),'<x_axis>',ADJUSTL(cx))
+         ENDIF
+         IF (INDEX(line(i),'<y_axis>')>0) THEN
+           CALL replacestring(line(i),'<y_axis>',ADJUSTL(cy))
+         ENDIF
+         IF (INDEX(line(i),'<mainspecies>')>0) THEN
+           CALL replacestring(line(i),'<mainspecies>',mainspecies)
+         ENDIF
+         accumstat = AccumulateLine(id1,line(i))
+!         print '(i0,t5,A)', i, trim(line(i))
+         IF (accumstat.NE.IPQ_OK) THEN
+            PRINT *,'Error accumulating line ',i,"."
+            STOP
+         ENDIF  
+      ENDDO
+      
+      nerr = RunAccumulated(id1) 
+       
+      IF (nerr.NE.0) THEN
+            PRINT *, nerr,' errors when running.'
+            CALL OutputErrorString(id1)           
+            STOP
+      ENDIF
+      
+      nrow = GetSelectedOutputRowCount(id1)
+      ncol = GetSelectedOutputColumnCount(id1)
+      
+      do i = 1, 2 ! ncol
+          if (mod(i,2).EQ.1) then
+              nerr = GetSelectedOutputValue(id1,nrow,i,v,c,species)
+          else
+              nerr = GetSelectedOutputValue(id1,nrow,i,v,d,s) + nerr
+              IF (nerr.EQ.0) THEN
+                 WRITE (13,'(I0,t15,F10.5,t30,F10.5,t45,A,t60,F11.3)') nt, x, y, TRIM(species), LOG10(d)
+                 WRITE (*,'(I0,t15,F10.5,t30,F10.5,t45,A,t60,F11.3)') nt, x, y, TRIM(species), LOG10(d)
+              ELSE
+                STOP 'bad data.'
+              ENDIF
+          endif
+      enddo
+            
+      line(:) = lineorig(:)
+      line(:) = lineorig(:)
+      
+   ENDDO
+ENDDO 
+
+nerr = DestroyIPhreeqc(id1)
+
+CLOSE (UNIT = 13)
+
+END PROGRAM test_memory_leak
+

memory_leak_f/test_memory_leak.pqi

@@ -0,0 +1,37 @@
+# Simple predominance diagram
+PRINT
+   -reset false
+PHASES
+Fix_H+
+   H+ = H+
+   log_k 0.0
+SELECTED_OUTPUT
+   -high_precision true
+   -reset false
+
+USER_PUNCH
+-headings
+-start
+50 main$ = "<mainspecies>"
+60 IF STEP_NO = 0 THEN 100 ELSE 70
+70 totel = SYS(main$, n, n$, t$, c)
+80 h2o = TOT("water")
+90 PUNCH n$(1), c(1)/h2o
+100 END
+-end
+END
+
+SOLUTION 1
+   pH        1.8
+   units     mol/kgw
+   Fe(3)     1e-1
+   Na        1e-1
+   Cl        1e-1
+
+EQUILIBRIUM_PHASES 1
+   Fix_H+ -<x_axis> NaOH 10
+     -force_equality true
+   O2(g)  <y_axis>
+   Fe(OH)3(a) 0 0
+END
+