Base commit befor trying to use dynamic scheduling to boost parallel

performance.

runs/cylFlow/input.json

@@ -11,7 +11,7 @@
     "meshFile": "mesh.msh"
   },
   "species": [
-    {"name": "Argon",  "type": "neutral", "mass": 6.633e-26, "weight": 5.0e6}
+    {"name": "Argon",  "type": "neutral", "mass": 6.633e-26, "weight": 5.0e7}
   ],
   "boundary": [ 
     {"name": "Injection",       "type": "absorption", "physicalSurface": 1},
@@ -21,17 +21,17 @@
     {"name": "Axis",            "type": "axis",       "physicalSurface": 5}
   ],
   "inject": [
-    {"name": "Nozzle", "species": "Argon", "flow": 1.0, "units": "sccm", "v": 300.0, "T": [300.0, 300.0, 300.0], "n": [1, 0, 0], "physicalSurface": 1}
+    {"name": "Nozzle", "species": "Argon", "flow": 10.0, "units": "sccm", "v": 300.0, "T": [300.0, 300.0, 300.0], "n": [1, 0, 0], "physicalSurface": 1}
   ],
   "reference": {
-	"density": 1.0e19,
+	"density": 1.0e20,
 	"mass": 6.633e-26,
 	"temperature": 300.0,
 	"radius": 1.88e-10
   },
   "case": {
     "tau":  6.e-7,
-    "time": 3.e-4
+    "time": 3.e-3
   },
   "interactions": {
     "folderCollisions": "./data/collisions/",

runs/cylFlow/plotCPUTime.gp

@@ -1,5 +1,5 @@
 reset
-set terminal qt enhanced 1 persist size 1800, 400 font "Times ,10"
+set terminal qt enhanced 1 persist size 1600, 600 font "Times ,10"
 
 set style line 1  pt 4              lc rgb "#B50427" #Squares   red
 set style line 2  pt 6              lc rgb "#3B4CC1" #Circles   blue

src/modules/moduleBoundary.f95

@@ -4,7 +4,7 @@ MODULE moduleBoundary
     INTEGER:: id = 0
     CHARACTER(:), ALLOCATABLE:: name
     INTEGER:: physicalSurface = 0
-    CHARACTER(:), ALLOCATABLE:: boundaryType !TODO: substitute for extended types
+    CHARACTER(:), ALLOCATABLE:: boundaryType
 
   END TYPE boundaryGeneric
 

src/modules/moduleCollisions.f95

@@ -2,7 +2,8 @@ MODULE moduleCollisions
   USE moduleTable
 
   TYPE, ABSTRACT:: collisionBinary
-    TYPE(table1D):: crossSec
+    REAL(8):: rMass !reduced mass
+    TYPE(table1D):: crossSec !cross section of collision
     CONTAINS
       PROCEDURE(initBinary_interface),    PASS, DEFERRED:: init
       PROCEDURE(collideBinary_interface), PASS, DEFERRED:: collide
@@ -10,10 +11,11 @@ MODULE moduleCollisions
   END TYPE collisionBinary
 
   ABSTRACT INTERFACE
-    SUBROUTINE initBinary_interface(self, crossSectionFilename)
+    SUBROUTINE initBinary_interface(self, crossSectionFilename, mass_i, mass_j)
       IMPORT:: collisionBinary
       CLASS(collisionBinary), INTENT(inout):: self
       CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename
+      REAL(8), INTENT(in):: mass_i, mass_j
 
     END SUBROUTINE
 
@@ -30,19 +32,23 @@ MODULE moduleCollisions
 
   END INTERFACE
 
-  !Container for collisions
+  !Container for binary collisions
   TYPE:: collisionCont
     CLASS(collisionBinary), ALLOCATABLE:: obj
 
   END TYPE collisionCont
 
   TYPE, EXTENDS(collisionBinary):: collisionBinaryElastic
+    !Weight distribution for Maxwellian function
+    REAL(8):: w_i = (1.D0+DSQRT(3.D0))/2.D0
+    REAL(8):: w_j = (DSQRT(3.D0)-1.D0)/2.D0
     CONTAINS
       PROCEDURE, PASS:: init    => initBinaryElastic
       PROCEDURE, PASS:: collide => collideBinaryElastic
 
   END TYPE collisionBinaryElastic
 
+  !Type for interaction matrix
   TYPE:: interactionsBinary
     INTEGER:: amount
     TYPE(collisionCont), ALLOCATABLE:: collisions(:)
@@ -92,13 +98,14 @@ MODULE moduleCollisions
 
       ALLOCATE(self%collisions(1:self%amount))
       DO k= 1, self%amount
+        !TODO: make type dependent
         ALLOCATE(collisionBinaryElastic:: self%collisions(k)%obj)
 
       END DO
 
     END SUBROUTINE initInteractionBinary
 
-    SUBROUTINE initBinaryElastic(self, crossSectionFilename)
+    SUBROUTINE initBinaryElastic(self, crossSectionFilename, mass_i, mass_j)
       USE moduleTable
       USE moduleRefParam
       USE moduleConstParam
@@ -106,6 +113,7 @@ MODULE moduleCollisions
 
       CLASS(collisionBinaryElastic), INTENT(inout):: self
       CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename
+      REAL(8), INTENT(in):: mass_i, mass_j
 
       !Reads data from file
       CALL self%crossSec%init(crossSectionFilename)
@@ -113,6 +121,9 @@ MODULE moduleCollisions
       !Convert to no-dimensional units
       CALL self%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2)
 
+      !Calculates reduced mass
+      self%rMass = (mass_i*mass_j)/(mass_i+mass_j)
+
     END SUBROUTINE
 
     SUBROUTINE collideBinaryElastic(self, sigmaVrelMax, sigmaVrelMaxNew, &
@@ -128,20 +139,23 @@ MODULE moduleCollisions
       TYPE(particle), INTENT(inout):: part_i, part_j
       REAL(8):: sigmaVrel
       REAL(8):: vRel !relative velocity
+      REAL(8):: eRel !relative energy
       REAL(8):: vp_i, vp_j, v_i, v_j !post and pre-collision velocities
-      REAL(8):: alpha
+      REAL(8):: v_ij !sum of velocities modules
+      REAL(8):: alpha !random angle of scattering
 
-      !v relative (in units of [m][L]^2[s]^-2
+      !eRel (in units of [m][L]^2[s]^-2
-      vRel = species(1)%obj%m*NORM2(part_i%v - part_j%v)**2
+      vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1
-      sigmaVrel = self%crossSec%get(vRel)*vRel
+      eRel = self%rMass*vRel**2
+      sigmaVrel = self%crossSec%get(eRel)*vRel
       sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel
-      PRINT *, sigmaVrelMaxNew/sigmaVrelMax, RAND()
       IF (sigmaVrelMaxNew/sigmaVrelMax > RAND()) THEN
         !Applies the collision
         v_i = NORM2(part_i%v)
         v_j = NORM2(part_j%v)
-        vp_j = (v_i + v_j)*(1.D0+DSQRT(3.D0))/2.D0
+        v_ij = v_i+v_j
-        vp_i = (v_i + v_j)*(DSQRT(3.D0)-1.D0)/2.D0
+        vp_j = v_ij*self%w_i
+        vp_i = v_ij*self%w_j
         alpha = PI*RAND()
         part_i%v(1) = v_i*DCOS(alpha)
         part_i%v(2) = v_i*DSIN(alpha)

src/modules/moduleInput.f95

@@ -241,7 +241,7 @@ MODULE moduleInput
           WRITE (kString, '(I2)') k
           CALL config%get(object // '.crossSections(' // TRIM(kString)// ')', crossSecFile)
           crossSecFilePath = pathCollisions // crossSecFile
-          CALL interactionMatrix(ij)%collisions(k)%obj%init(crossSecFilePath)
+          CALL interactionMatrix(ij)%collisions(k)%obj%init(crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m)
 
         END DO
 

src/modules/moduleList.f95

@@ -6,6 +6,7 @@ MODULE moduleList
   TYPE lNode 
     TYPE(particle), POINTER:: part => NULL()
     TYPE(lNode), POINTER::    next => NULL()
+
   END TYPE lNode
 
   TYPE listNode
@@ -14,69 +15,74 @@ MODULE moduleList
     TYPE(lNode),POINTER:: tail => NULL()
     CONTAINS
       PROCEDURE,PASS:: add => addToList
-      PROCEDURE,PASS:: get => getFromList
+      PROCEDURE,PASS:: convert2Array
       PROCEDURE,PASS:: erase => eraseList
+
   END TYPE listNode
 
+  TYPE pointerArray
+    TYPE(particle), POINTER:: part
+
+  END TYPE
+
   CONTAINS
     !Adds element to list
-    SUBROUTINE addToList(this,part)
+    SUBROUTINE addToList(self,part)
       USE moduleSpecies
-      CLASS(listNode), INTENT(inout):: this
+      CLASS(listNode), INTENT(inout):: self
       TYPE(particle),INTENT(in), TARGET:: part
       TYPE(lNode),POINTER:: temp
 
       ALLOCATE(temp)
       temp%part => part
       NULLIFY(temp%next)
-      this%amount = this%amount + 1
+      self%amount = self%amount + 1
-      IF (.NOT. ASSOCIATED(this%head)) THEN
+      IF (.NOT. ASSOCIATED(self%head)) THEN
         !First element
-        this%head => temp
+        self%head => temp
-        this%tail => temp
+        self%tail => temp
       ELSE
         !Append element
-        this%tail%next => temp
+        self%tail%next => temp
-        this%tail => temp
+        self%tail => temp
       END IF
 
     END SUBROUTINE addToList
 
-    FUNCTION getFromList(self, iObj) RESULT(partTemp)
+    FUNCTION convert2Array(self) RESULT(partArray)
-      use moduleErrors
       IMPLICIT NONE
 
-      CLASS(listNode):: self
+      CLASS(listNode), INTENT(in):: self
-      INTEGER:: iObj
+      TYPE(pointerArray), ALLOCATABLE:: partArray(:)
-      TYPE(particle), POINTER:: partTemp
+      TYPE(lNode), POINTER:: tempNode
-      INTEGER:: i
+      INTEGER:: n
-      TYPE(lNode), POINTER:: nodeTemp
 
-
+      ALLOCATE(partArray(1:self%amount))
-      IF (iObj > self%amount) CALL criticalError('Accessing to element list outisde range','getFromList')
+      tempNode => self%head
-      nodeTemp => self%head
+      DO n=1, self%amount
-      DO i = 1, iObj - 1
+        !Point element in array to element in list
-        nodeTemp => nodeTemp%next
+        partArray(n)%part => tempNode%part
+        !Go to next element
+        tempNode => tempNode%next
 
       END DO
-      partTemp => nodeTemp%part
 
-    END FUNCTION getFromList
+    END FUNCTION convert2Array
 
     !Erase list
-    SUBROUTINE eraseList(this)
+    SUBROUTINE eraseList(self)
-      CLASS(listNode):: this
+      CLASS(listNode):: self
       TYPE(lNode),POINTER:: current, next
       
-      current => this%head
+      current => self%head
       DO WHILE (ASSOCIATED(current))
         next => current%next
         DEALLOCATE(current)
         current => next
       END DO
-      IF (ASSOCIATED(this%head)) NULLIFY(this%head)
+      IF (ASSOCIATED(self%head)) NULLIFY(self%head)
-      IF (ASSOCIATED(this%tail)) NULLIFY(this%tail)
+      IF (ASSOCIATED(self%tail)) NULLIFY(self%tail)
-      this%amount = 0
+      self%amount = 0
     END SUBROUTINE eraseList
 
 END MODULE moduleList

src/modules/moduleMeshCyl.f95

@@ -537,6 +537,7 @@ MODULE moduleMeshCyl
       INTEGER:: n !collision
       INTEGER:: ij, k
       REAL(8):: sigmaVrelMaxNew
+      TYPE(pointerArray), ALLOCATABLE:: partTemp(:)
 
       self%nColl = 0
       nPart = self%listPart_in%amount
@@ -544,12 +545,18 @@ MODULE moduleMeshCyl
         pMax = self%totalWeight*self%sigmaVrelMax*tau/self%volume
         self%nColl = INT(REAL(nPart)*pMax*0.5D0)
 
+        !Converts the list of particles to an array for easy access
+        IF (self%nColl > 0) THEN
+          partTemp = self%listPart_in%convert2Array()
+
+        END IF
+
         DO n = 1, self%nColl
           !Select random numbers
           rnd = 1 + FLOOR(nPart*RAND())
-          part_i => self%listPart_in%get(rnd)
+          part_i => partTemp(rnd)%part
           rnd = 1 + FLOOR(nPart*RAND())
-          part_j => self%listPart_in%get(rnd)
+          part_j => partTemp(rnd)%part
           ij = interactionIndex(part_i%pt, part_j%pt)
           sigmaVrelMaxNew = 0.D0
           DO k = 1, interactionMatrix(ij)%amount

src/modules/moduleSpecies.f95

@@ -41,7 +41,7 @@ MODULE moduleSpecies
   INTEGER:: nPartOld
   INTEGER:: nPartInj
   !Arrays that contain the particles
-  TYPE(particle), ALLOCATABLE, DIMENSION(:), TARGET:: partOld
+  TYPE(particle), ALLOCATABLE, DIMENSION(:), TARGET:: partOld !array of particles from previous iteration
   TYPE(particle), ALLOCATABLE, DIMENSION(:), TARGET:: partInj !array of inject particles
 
   CONTAINS