From b2eb7c562281b361256063df4018e2aa63c743c8 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 14 Dec 2022 16:22:59 +0100 Subject: [PATCH 1/8] First commit for average scheme New module defined that will take care of averaging the output in the nodes. --- src/makefile | 2 +- src/modules/makefile | 2 +- src/modules/moduleAverage.f90 | 65 +++++++++++++++++++++++++++++++++++ src/modules/moduleMath.f90 | 11 ++++++ src/modules/moduleOutput.f90 | 64 ++++++++++++++++++++++++++++++---- src/modules/moduleSolver.f90 | 16 +++++++++ 6 files changed, 151 insertions(+), 9 deletions(-) create mode 100644 src/modules/moduleAverage.f90 diff --git a/src/makefile b/src/makefile index 9022723..24ad089 100644 --- a/src/makefile +++ b/src/makefile @@ -4,7 +4,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ - $(OBJDIR)/moduleProbe.o \ + $(OBJDIR)/moduleProbe.o $(OBJDIR)/moduleAverage.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ $(OBJDIR)/moduleMeshInput0D.o $(OBJDIR)/moduleMeshOutput0D.o \ $(OBJDIR)/moduleMesh3DCart.o \ diff --git a/src/modules/makefile b/src/modules/makefile index c83d436..d3931f4 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -25,7 +25,7 @@ moduleList.o: moduleConstParam.o moduleErrors.o moduleCaseParam.o moduleSpecies. moduleOutput.o: moduleMath.o moduleRefParam.o moduleOutput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleSolver.o: moduleProbe.o moduleEM.o moduleSolver.f90 +moduleSolver.o: moduleProbe.o moduleEM.o moduleAverage.o moduleSolver.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleProbe.o: mesh.o moduleProbe.f90 diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 new file mode 100644 index 0000000..9b614c0 --- /dev/null +++ b/src/modules/moduleAverage.f90 @@ -0,0 +1,65 @@ +MODULE moduleAverage + USE moduleOutput + + TYPE:: averageData + TYPE(outputNode), ALLOCATABLE:: output(:) + TYPE(emNode):: emData + + END TYPE averageData + + !Generic type for average scheme + TYPE, PUBLIC:: averageGeneric + INTEGER:: tStart !Starting iteartion for average scheme + TYPE(averageData), ALLOCATABLE:: mean(:) + TYPE(averageData), ALLOCATABLE:: deviation(:) + CONTAINS + PROCEDURE, PASS:: updateAverage + + END TYPE averageGeneric + + TYPE(averageGeneric):: averageScheme + + !Logical to determine if average scheme must be used + LOGICAL:: useAverage + + CONTAINS + !Based on Welford's online algorithm + SUBROUTINE updateAverage(self, t) + USE moduleMesh + USE moduleSpecies + USE moduleOutput + IMPLICIT NONE + + CLASS(averageGeneric), INTENT(inout):: self + INTEGER, INTENT(in):: t + INTEGER:: tAverage + INTEGER:: n, s + TYPE(averageData):: newAverage + + tAverage = t - self%tStart + + IF (tAverage == 1) THEN + !First iteration in which average scheme is used + DO n = 1, mesh%numNodes + !Copy current data as mean + self%mean(n)%output(:) = mesh%nodes(n)%obj%output(:) + + END DO + + ELSEIF (tAverage > 1) THEN + !Normal average step + DO n = 1, mesh%numNodes + DO s = 1, nSpecies + newAverage%output(s) = self%mean(n)%output(s) + (mesh%nodes(n)%obj%output(s) - self%mean(n)%output(s))/tAverage + + END DO + + self%mean(n)%output(:) = newAverage%output(:) + + END DO + + END IF + + END SUBROUTINE updateAverage + +END MODULE moduleAverage diff --git a/src/modules/moduleMath.f90 b/src/modules/moduleMath.f90 index ca8d780..adb0d24 100644 --- a/src/modules/moduleMath.f90 +++ b/src/modules/moduleMath.f90 @@ -59,4 +59,15 @@ MODULE moduleMath END FUNCTION + FUNCTION tensorTrace(a) RESULT(t) + IMPLICIT NONE + + REAL(8), DIMENSION(1:3,1:3):: a + REAL(8):: t + + t = 0.D0 + t = a(1,1)+a(2,2)+a(3,3) + + END FUNCTION tensorTrace + END MODULE moduleMath diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index ecc5462..9cb23a7 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -1,9 +1,19 @@ !Contains information about output MODULE moduleOutput IMPLICIT NONE + !Output for each node - TYPE outputNode + TYPE, PUBLIC:: outputNode REAL(8):: den = 0.D0, mom(1:3) = 0.D0, tensorS(1:3,1:3) = 0.D0 + CONTAINS + PROCEDURE, PASS(self), PRIVATE:: copyOutputNode + PROCEDURE, PASS(self), PRIVATE:: addOutputNode + PROCEDURE, PASS(self), PRIVATE:: subOutputNode + PROCEDURE, PASS(self), PRIVATE:: divOutputNode_int + GENERIC, PUBLIC :: ASSIGNMENT(=) => copyOutputNode + GENERIC, PUBLIC :: OPERATOR(+) => addOutputNode + GENERIC, PUBLIC :: OPERATOR(-) => subOutputNode + GENERIC, PUBLIC :: OPERATOR(/) => divOutputNode_int END TYPE @@ -32,16 +42,56 @@ MODULE moduleOutput LOGICAL:: emOutput = .FALSE. CONTAINS - FUNCTION tensorTrace(a) RESULT(t) + PURE SUBROUTINE copyOutputNode(self, from) IMPLICIT NONE - REAL(8), DIMENSION(1:3,1:3):: a - REAL(8):: t + CLASS(outputNode), INTENT(inout):: self + CLASS(outputNode), INTENT(in):: from - t = 0.D0 - t = a(1,1)+a(2,2)+a(3,3) + self%den = from%den + self%mom = from%mom + self%tensorS = from%tensorS - END FUNCTION tensorTrace + END SUBROUTINE copyOutputNode + + PURE FUNCTION addOutputNode(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + CLASS(outputNode), INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den + that%den + total%mom = self%mom + that%mom + total%tensorS = self%tensorS + that%tensorS + + END FUNCTION addOutputNode + + PURE FUNCTION subOutputNode(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + CLASS(outputNode), INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den - that%den + total%mom = self%mom - that%mom + total%tensorS = self%tensorS - that%tensorS + + END FUNCTION subOutputNode + + PURE FUNCTION divOutputNode_int(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + INTEGER, INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den / REAL(that) + total%mom = self%mom / REAL(that) + total%tensorS = self%tensorS / REAL(that) + + END FUNCTION divOutputNode_int SUBROUTINE calculateOutput(rawValues, formatValues, nodeVol, speciesIn) USE moduleConstParam diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 017a321..7182184 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -1,4 +1,5 @@ MODULE moduleSolver + USE moduleAverage !Generic type for pusher of particles TYPE, PUBLIC:: pusherGeneric @@ -15,6 +16,7 @@ MODULE moduleSolver !Generic type for solver TYPE, PUBLIC:: solverGeneric TYPE(pusherGeneric), ALLOCATABLE:: pusher(:) + TYPE(averageGeneric), ALLOCATABLE:: averageScheme PROCEDURE(solveEM_interface), POINTER, NOPASS:: solveEM => NULL() PROCEDURE(weightingScheme_interface), POINTER, NOPASS:: weightingScheme => NULL() CONTAINS @@ -818,5 +820,19 @@ MODULE moduleSolver END SUBROUTINE doOutput + SUBROUTINE doAverage(t) + USE moduleAverage + IMPLICIT NONE + + INTEGER, INTENT(in):: t + + IF (useAverage) THEN + CALL averageScheme%updateAverage(t) + + END IF + + END SUBROUTINE doAverage + + END MODULE moduleSolver From c5c4cbefbfd34a53f87eb06865c35cecbf014c2b Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 14 Dec 2022 18:30:14 +0100 Subject: [PATCH 2/8] Output ready Output for Gmsh2 ready. Unfortunatly, code repetition was required. --- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 7 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 82 ++++++++++++++++++- src/modules/mesh/moduleMesh.f90 | 17 +++- src/modules/moduleAverage.f90 | 4 +- src/modules/moduleSolver.f90 | 6 ++ 5 files changed, 106 insertions(+), 10 deletions(-) diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 0a3a557..7832843 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -13,9 +13,10 @@ MODULE moduleMeshInputGmsh2 IF (ASSOCIATED(meshForMCC, self)) self%printColl => printCollGmsh2 SELECT TYPE(self) TYPE IS(meshParticles) - self%printOutput => printOutputGmsh2 - self%printEM => printEMGmsh2 - self%readInitial => readInitialGmsh2 + self%printOutput => printOutputGmsh2 + self%printEM => printEMGmsh2 + self%readInitial => readInitialGmsh2 + self%printAverage => printAverageGmsh2 END SELECT self%readMesh => readGmsh2 diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 40eda4f..106480a 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -21,7 +21,7 @@ MODULE moduleMeshOutputGmsh2 DO i = 1, nSpecies WRITE(tstring, iterationFormat) t - fileName='OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' + fileName= 'OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) WRITE(60, "(A)") '$MeshFormat' @@ -226,4 +226,84 @@ MODULE moduleMeshOutputGmsh2 END SUBROUTINE printEMGmsh2 + !Prints the average properties of particles into the nodes + SUBROUTINE printAverageGmsh2(self) + USE moduleMesh + USE moduleRefParam + USE moduleSpecies + USE moduleOutput + USE moduleAverage + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER:: n, i + TYPE(outputFormat):: output(1:self%numNodes) + CHARACTER(:), ALLOCATABLE:: fileName + + DO i = 1, nSpecies + fileName= 'Average_mean_OUTPUT_' // species(i)%obj%name // '.msh' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (60, file = path // folder // '/' // fileName) + WRITE(60, "(A)") '$MeshFormat' + WRITE(60, "(A)") '2.2 0 8' + WRITE(60, "(A)") '$EndMeshFormat' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' density (m^-3)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + CALL calculateOutput(averageScheme%mean(n)%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) + WRITE(60, "(I6,ES20.6E3)") n, output(n)%density + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 3 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' pressure (Pa)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' temperature (K)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature + END DO + WRITE(60, "(A)") '$EndNodeData' + CLOSE (60) + + END DO + + END SUBROUTINE printAverageGmsh2 + END MODULE moduleMeshOutputGmsh2 diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index ebbbed4..05c4b85 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -289,7 +289,7 @@ MODULE moduleMesh CONTAINS PROCEDURE, PASS:: doCollisions - END TYPE + END TYPE meshGeneric ABSTRACT INTERFACE !Reads the mesh from a file @@ -338,9 +338,10 @@ MODULE moduleMesh REAL(8), ALLOCATABLE, DIMENSION(:,:):: K !Permutation matrix for P L U factorization INTEGER, ALLOCATABLE, DIMENSION(:,:):: IPIV - PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() - PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() - PROCEDURE(doCoulomb_interface), POINTER, PASS:: doCoulomb => NULL() + PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() + PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() + PROCEDURE(doCoulomb_interface), POINTER, PASS:: doCoulomb => NULL() + PROCEDURE(printAverage_interface), POINTER, PASS:: printAverage => NULL() CONTAINS PROCEDURE, PASS:: constructGlobalK @@ -373,6 +374,14 @@ MODULE moduleMesh END SUBROUTINE printEM_interface + !Prints average values + SUBROUTINE printAverage_interface(self) + IMPORT meshParticles + + CLASS(meshParticles), INTENT(in):: self + + END SUBROUTINE printAverage_interface + END INTERFACE diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 index 9b614c0..b697389 100644 --- a/src/modules/moduleAverage.f90 +++ b/src/modules/moduleAverage.f90 @@ -9,7 +9,7 @@ MODULE moduleAverage !Generic type for average scheme TYPE, PUBLIC:: averageGeneric - INTEGER:: tStart !Starting iteartion for average scheme + INTEGER:: tStart = 0 !Starting iteartion for average scheme TYPE(averageData), ALLOCATABLE:: mean(:) TYPE(averageData), ALLOCATABLE:: deviation(:) CONTAINS @@ -20,7 +20,7 @@ MODULE moduleAverage TYPE(averageGeneric):: averageScheme !Logical to determine if average scheme must be used - LOGICAL:: useAverage + LOGICAL:: useAverage = .FALSE. CONTAINS !Based on Welford's online algorithm diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 7182184..4d0ec0d 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -818,6 +818,12 @@ MODULE moduleSolver END IF + !Output average values + IF (useAverage .AND. t == tFinal) THEN + CALL mesh%printAverage() + + END IF + END SUBROUTINE doOutput SUBROUTINE doAverage(t) From 38d28887ffa3b78cc5070f5cd91da8780cc6d2b9 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 15 Dec 2022 08:35:00 +0100 Subject: [PATCH 3/8] Implementation of average scheme and testing New input variables to activate the average scheme. Still only computing the mean, no the standard deviation. Output checked with ALPHIE Grid example. Looks good. No impact on CPU time, although testing is still required. --- src/fpakc.f90 | 2 ++ src/modules/moduleAverage.f90 | 6 +++++- src/modules/moduleInput.f90 | 36 +++++++++++++++++++++++++++++++++++ 3 files changed, 43 insertions(+), 1 deletion(-) diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 03d0bbb..1224f53 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -114,6 +114,8 @@ PROGRAM fpakc !$OMP SINGLE tEMField = omp_get_wtime() - tEMField + CALL doAverage(t) + tStep = omp_get_wtime() - tStep !Output data diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 index b697389..bbea577 100644 --- a/src/modules/moduleAverage.f90 +++ b/src/modules/moduleAverage.f90 @@ -9,7 +9,7 @@ MODULE moduleAverage !Generic type for average scheme TYPE, PUBLIC:: averageGeneric - INTEGER:: tStart = 0 !Starting iteartion for average scheme + INTEGER:: tStart = 1 !Starting iteartion for average scheme TYPE(averageData), ALLOCATABLE:: mean(:) TYPE(averageData), ALLOCATABLE:: deviation(:) CONTAINS @@ -47,6 +47,8 @@ MODULE moduleAverage END DO ELSEIF (tAverage > 1) THEN + ALLOCATE(newAverage%output(1:nSpecies)) + !Normal average step DO n = 1, mesh%numNodes DO s = 1, nSpecies @@ -58,6 +60,8 @@ MODULE moduleAverage END DO + DEALLOCATE(newAverage%output) + END IF END SUBROUTINE updateAverage diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index de6cc65..3463f9e 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -75,6 +75,11 @@ MODULE moduleInput CALL readInject(config) CALL checkStatus(config, "readInject") + !Read average scheme + CALL verboseError('Reading average scheme...') + CALL readAverage(config) + CALL checkStatus(config, "readAverage") + !Read parallel parameters CALL verboseError('Reading Parallel configuration...') CALL readParallel(config) @@ -1180,6 +1185,37 @@ MODULE moduleInput END SUBROUTINE readInject + SUBROUTINE readAverage(config) + USE moduleAverage + USE moduleCaseParam, ONLY: tauMin + USE moduleMesh, ONLY: mesh + USE moduleSpecies, ONLY: nSpecies + IMPLICIT NONE + + TYPE(json_file), INTENT(inout):: config + LOGICAL:: found + REAL(8):: tStart + INTEGER:: n + + CALL config%info('average', found) + IF (found) THEN + useAverage = .TRUE. + CALL config%get('average.startTime', tStart, found) + + IF (found) THEN + averageScheme%tStart = INT(tStart / tauMin) + + END IF + ALLOCATE(averageScheme%mean(1:mesh%numNodes)) + DO n = 1, mesh%numNodes + ALLOCATE(averageScheme%mean(n)%output(1:nSpecies)) + + END DO + + END IF + + END SUBROUTINE readAverage + !Reads the velocity distribution functions for each inject SUBROUTINE readVelDistr(config, inj, object) USE moduleErrors From 5509332980ff6bcdb2e23325eafbda3ef895b415 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 15 Dec 2022 11:40:24 +0100 Subject: [PATCH 4/8] Output of standard deviation The output for the standard deviation (still Gmsh2 only) was added. Change in the output routines to reduce code repetition. --- src/modules/makefile | 2 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 295 +++++++++--------- src/modules/moduleAverage.f90 | 63 ++-- src/modules/moduleInput.f90 | 9 +- src/modules/moduleOutput.f90 | 60 +++- src/modules/moduleSolver.f90 | 19 +- 6 files changed, 256 insertions(+), 192 deletions(-) diff --git a/src/modules/makefile b/src/modules/makefile index d3931f4..f1545dc 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -7,7 +7,7 @@ OBJS = moduleCaseParam.o moduleCompTime.o moduleList.o \ all: $(OBJS) -mesh.o: moduleCollisions.o moduleBoundary.o +mesh.o: moduleCollisions.o moduleBoundary.o moduleAverage.o $(MAKE) -C mesh all moduleCollisions.o: moduleList.o moduleMath.o moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 106480a..2dcb7f6 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -1,6 +1,84 @@ MODULE moduleMeshOutputGmsh2 CONTAINS + !Header for mesh format + SUBROUTINE writeGmsh2HeaderMesh(fileID) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + + WRITE(fileID, "(A)") '$MeshFormat' + WRITE(fileID, "(A)") '2.2 0 8' + WRITE(fileID, "(A)") '$EndMeshFormat' + + END SUBROUTINE writeGmsh2HeaderMesh + + !Node data subroutines + !Header + SUBROUTINE writeGmsh2HeaderNodeData(fileID, title, iteration, time, dimensions, nNodes) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + CHARACTER(*), INTENT(in):: title + INTEGER, INTENT(in):: iteration, dimensions, nNodes + REAL(8), INTENT(in):: time + + + WRITE(fileID, "(A)") '$NodeData' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(A1, A, A1)") '"' , title , '"' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(ES20.6E3)") time + WRITE(fileID, "(I10)") 3 + WRITE(fileID, "(I10)") iteration + WRITE(fileID, "(I10)") dimensions + WRITE(fileID, "(I10)") nNodes + + END SUBROUTINE writeGmsh2HeaderNodeData + + !Footer + SUBROUTINE writeGmsh2FooterNodeData(fileID) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + + WRITE(fileID, "(A)") '$EndNodeData' + + END SUBROUTINE writeGmsh2FooterNodeData + + !Element data subroutines + !Header + SUBROUTINE writeGmsh2HeaderElementData(fileID, title, iteration, time, dimensions, nVols) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + CHARACTER(*), INTENT(in):: title + INTEGER, INTENT(in):: iteration, dimensions, nVols + REAL(8), INTENT(in):: time + + + WRITE(fileID, "(A)") '$ElementData' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(A1, A, A1)") '"' , title , '"' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(ES20.6E3)") time + WRITE(fileID, "(I10)") 3 + WRITE(fileID, "(I10)") iteration + WRITE(fileID, "(I10)") dimensions + WRITE(fileID, "(I10)") nVols + + END SUBROUTINE writeGmsh2HeaderElementData + + !Footer + SUBROUTINE writeGmsh2FooterElementData(fileID) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + + WRITE(fileID, "(A)") '$EndElementData' + + END SUBROUTINE writeGmsh2FooterElementData + !Prints the scattered properties of particles into the nodes SUBROUTINE printOutputGmsh2(self, t) USE moduleMesh @@ -24,62 +102,33 @@ MODULE moduleMeshOutputGmsh2 fileName= 'OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' density (m^-3)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + + CALL writeGmsh2HeaderMesh(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' density (m^-3)', t, time, 1, self%numNodes) DO n=1, self%numNodes CALL calculateOutput(self%nodes(n)%obj%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) WRITE(60, "(I6,ES20.6E3)") n, output(n)%density END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 3 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' velocity (m s^-1)', t, time, 3, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' pressure (Pa)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Pressure (Pa)', t, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' temperature (K)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Temperature (K)', t, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature END DO - WRITE(60, "(A)") '$EndNodeData' + CALL writeGmsh2FooterNodeData(60) CLOSE (60) END DO @@ -103,6 +152,7 @@ MODULE moduleMeshOutputGmsh2 REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName CHARACTER (LEN=iterationDigits):: tstring + CHARACTER(:), ALLOCATABLE:: title SELECT TYPE(self) TYPE IS(meshParticles) @@ -123,25 +173,20 @@ MODULE moduleMeshOutputGmsh2 fileName='OUTPUT_' // tstring// '_Collisions.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' + + CALL writeGmsh2HeaderMesh(60) + DO k = 1, nCollPairs DO c = 1, interactionMatrix(k)%amount - WRITE(60, "(A)") '$ElementData' - WRITE(60, "(A)") '1' - WRITE(60, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numVols + WRITE(title, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c + CALL writeGmsh2HeaderElementData(60, title, t, time, 1, self%numVols) DO n=1, self%numVols WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%tallyColl(k)%tally(c) END DO - WRITE(60, "(A)") '$EndElementData' + CALL writeGmsh2FooterElementData(60) + END DO + END DO CLOSE(60) @@ -175,50 +220,26 @@ MODULE moduleMeshOutputGmsh2 fileName='OUTPUT_' // tstring// '_EMField.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (20, file = path // folder // '/' // fileName) - WRITE(20, "(A)") '$MeshFormat' - WRITE(20, "(A)") '2.2 0 8' - WRITE(20, "(A)") '$EndMeshFormat' - WRITE(20, "(A)") '$NodeData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Potential (V)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 1 - WRITE(20, *) self%numNodes + + CALL writeGmsh2HeaderMesh(20) + + CALL writeGmsh2HeaderNodeData(20, 'Potential (V)', t, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(20, *) n, self%nodes(n)%obj%emData%phi*Volt_ref END DO - WRITE(20, "(A)") '$EndNodeData' + CALL writeGmsh2FooterNodeData(20) - WRITE(20, "(A)") '$ElementData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Electric Field (V m^-1)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 3 - WRITE(20, *) self%numVols + CALL writeGmsh2HeaderElementData(20, 'Electric Field (V m^-1)', t, time, 3, self%numVols) DO e=1, self%numVols WRITE(20, *) e+self%numEdges, self%vols(e)%obj%gatherEF(xi)*EF_ref END DO - WRITE(20, "(A)") '$EndElementData' + CALL writeGmsh2FooterElementData(20) - WRITE(20, "(A)") '$NodeData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Magnetic Field (T)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 3 - WRITE(20, *) self%numNodes + CALL writeGmsh2HeaderNodeData(20, 'Magnetic Field (T)', t, time, 3, self%numNodes) DO n=1, self%numNodes WRITE(20, *) n, self%nodes(n)%obj%emData%B * B_ref END DO - WRITE(20, "(A)") '$EndNodeData' + CALL writeGmsh2FooterNodeData(20) CLOSE(20) @@ -237,70 +258,62 @@ MODULE moduleMeshOutputGmsh2 CLASS(meshParticles), INTENT(in):: self INTEGER:: n, i - TYPE(outputFormat):: output(1:self%numNodes) + TYPE(outputFormat), DIMENSION(1:self%numNodes):: outputMean, outputDeviation CHARACTER(:), ALLOCATABLE:: fileName + INTEGER:: fileMean=10, fileDeviation=20 DO i = 1, nSpecies - fileName= 'Average_mean_OUTPUT_' // species(i)%obj%name // '.msh' + fileName= 'Average_mean_' // species(i)%obj%name // '.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName - OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' density (m^-3)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + OPEN (fileMean, file = path // folder // '/' // fileName) + + fileName= 'Average_deviation_' // species(i)%obj%name // '.msh' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (filedeviation, file = path // folder // '/' // fileName) + + CALL writeGmsh2HeaderMesh(fileMean) + CALL writeGmsh2HeaderMesh(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' density, mean (m^-3)', 0, 0.D0, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' density, sd (m^-3)', 0, 0.D0, 1, self%numNodes) DO n=1, self%numNodes - CALL calculateOutput(averageScheme%mean(n)%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) - WRITE(60, "(I6,ES20.6E3)") n, output(n)%density + CALL calculateOutput(averageScheme(n)%mean%output(i), outputMean(n), self%nodes(n)%obj%v, species(i)%obj) + WRITE(fileMean, "(I6,ES20.6E3)") n, outputMean(n)%density + CALL calculateOutput(averageScheme(n)%deviation%output(i), outputDeviation(n), self%nodes(n)%obj%v, species(i)%obj) + WRITE(fileDeviation, "(I6,ES20.6E3)") n, outputDeviation(n)%density END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 3 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' velocity, mean (m s^-1)', 0, 0.D0, 3, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' velocity, sd (m s^-1)', 0, 0.D0, 3, self%numNodes) DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity + WRITE(fileMean, "(I6,3(ES20.6E3))") n, outputMean(n)%velocity + WRITE(fileDeviation, "(I6,3(ES20.6E3))") n, outputDeviation(n)%velocity END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' pressure (Pa)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' Pressure, mean (Pa)', 0, 0.D0, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' Pressure, sd (Pa)', 0, 0.D0, 1, self%numNodes) DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure + WRITE(fileMean, "(I6,3(ES20.6E3))") n, outputMean(n)%pressure + WRITE(fileDeviation, "(I6,3(ES20.6E3))") n, outputDeviation(n)%pressure END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' temperature (K)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' Temperature, mean (K)', 0, 0.D0, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' Temperature, sd (K)', 0, 0.D0, 1, self%numNodes) DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature + WRITE(fileMean, "(I6,3(ES20.6E3))") n, outputMean(n)%temperature + WRITE(fileDeviation, "(I6,3(ES20.6E3))") n, outputDeviation(n)%temperature END DO - WRITE(60, "(A)") '$EndNodeData' - CLOSE (60) + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CLOSE (fileMean) + CLOSE(fileDeviation) END DO diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 index bbea577..8d705d5 100644 --- a/src/modules/moduleAverage.f90 +++ b/src/modules/moduleAverage.f90 @@ -9,60 +9,63 @@ MODULE moduleAverage !Generic type for average scheme TYPE, PUBLIC:: averageGeneric - INTEGER:: tStart = 1 !Starting iteartion for average scheme - TYPE(averageData), ALLOCATABLE:: mean(:) - TYPE(averageData), ALLOCATABLE:: deviation(:) + TYPE(averageData):: mean + TYPE(averageData):: deviation CONTAINS + PROCEDURE, PASS:: firstAverage PROCEDURE, PASS:: updateAverage END TYPE averageGeneric - TYPE(averageGeneric):: averageScheme + TYPE(averageGeneric), ALLOCATABLE:: averageScheme(:) !Logical to determine if average scheme must be used LOGICAL:: useAverage = .FALSE. + INTEGER:: tAverageStart = 1 !Starting iteartion for average scheme CONTAINS - !Based on Welford's online algorithm - SUBROUTINE updateAverage(self, t) - USE moduleMesh - USE moduleSpecies + PURE SUBROUTINE firstAverage(self, output) USE moduleOutput IMPLICIT NONE CLASS(averageGeneric), INTENT(inout):: self - INTEGER, INTENT(in):: t - INTEGER:: tAverage - INTEGER:: n, s - TYPE(averageData):: newAverage + TYPE(outputNode), INTENT(in):: output(:) - tAverage = t - self%tStart + !Copy current data as mean + self%mean%output(:) = output(:) - IF (tAverage == 1) THEN - !First iteration in which average scheme is used - DO n = 1, mesh%numNodes - !Copy current data as mean - self%mean(n)%output(:) = mesh%nodes(n)%obj%output(:) + !Set deviation at 0 + self%deviation%output(:) = 0.D0 - END DO + END SUBROUTINE firstAverage - ELSEIF (tAverage > 1) THEN - ALLOCATE(newAverage%output(1:nSpecies)) - !Normal average step - DO n = 1, mesh%numNodes - DO s = 1, nSpecies - newAverage%output(s) = self%mean(n)%output(s) + (mesh%nodes(n)%obj%output(s) - self%mean(n)%output(s))/tAverage + !Based on Welford's online algorithm + SUBROUTINE updateAverage(self, output, tAverage) + USE moduleOutput + USE moduleSpecies, ONLY: nSpecies + IMPLICIT NONE - END DO + CLASS(averageGeneric), INTENT(inout):: self + TYPE(outputNode), INTENT(in):: output(:) + INTEGER, INTENT(in):: tAverage + TYPE(averageData):: newMean, newDeviation - self%mean(n)%output(:) = newAverage%output(:) + ALLOCATE(newMean%output(1:nSpecies)) + ALLOCATE(newDeviation%output(1:nSpecies)) - END DO + newMean%output(:) = self%mean%output(:) + (output(:) - self%mean%output(:))/tAverage - DEALLOCATE(newAverage%output) + newDeviation%output(:) = self%deviation%output(:) + ((output(:) - self%mean%output(:)) * & + (output(:) - newMean%output(:)) - & + self%deviation%output(:))/tAverage - END IF + self%mean%output(:) = newMean%output(:) + + self%deviation%output(:) = newDeviation%output(:) + + DEALLOCATE(newMean%output) + DEALLOCATE(newDeviation%output) END SUBROUTINE updateAverage diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 3463f9e..348edf3 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -1203,12 +1203,15 @@ MODULE moduleInput CALL config%get('average.startTime', tStart, found) IF (found) THEN - averageScheme%tStart = INT(tStart / tauMin) + tAverageStart = INT(tStart / tauMin) END IF - ALLOCATE(averageScheme%mean(1:mesh%numNodes)) + + ALLOCATE(averageScheme(1:mesh%numNodes)) + DO n = 1, mesh%numNodes - ALLOCATE(averageScheme%mean(n)%output(1:nSpecies)) + ALLOCATE(averageScheme(n)%mean%output(1:nSpecies)) + ALLOCATE(averageScheme(n)%deviation%output(1:nSpecies)) END DO diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index 9cb23a7..18fbb7f 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -6,14 +6,17 @@ MODULE moduleOutput TYPE, PUBLIC:: outputNode REAL(8):: den = 0.D0, mom(1:3) = 0.D0, tensorS(1:3,1:3) = 0.D0 CONTAINS - PROCEDURE, PASS(self), PRIVATE:: copyOutputNode - PROCEDURE, PASS(self), PRIVATE:: addOutputNode - PROCEDURE, PASS(self), PRIVATE:: subOutputNode - PROCEDURE, PASS(self), PRIVATE:: divOutputNode_int - GENERIC, PUBLIC :: ASSIGNMENT(=) => copyOutputNode - GENERIC, PUBLIC :: OPERATOR(+) => addOutputNode - GENERIC, PUBLIC :: OPERATOR(-) => subOutputNode - GENERIC, PUBLIC :: OPERATOR(/) => divOutputNode_int + PROCEDURE, PASS(self), PRIVATE:: outputNode_equal_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_equal_real + PROCEDURE, PASS(self), PRIVATE:: outputNode_add_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_sub_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_mul_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_div_int + GENERIC, PUBLIC :: ASSIGNMENT(=) => outputNode_equal_outputNode, outputNode_equal_real + GENERIC, PUBLIC :: OPERATOR(+) => outputNode_add_outputNode + GENERIC, PUBLIC :: OPERATOR(-) => outputNode_sub_outputNode + GENERIC, PUBLIC :: OPERATOR(*) => outputNode_mul_outputNode + GENERIC, PUBLIC :: OPERATOR(/) => outputNode_div_int END TYPE @@ -42,7 +45,7 @@ MODULE moduleOutput LOGICAL:: emOutput = .FALSE. CONTAINS - PURE SUBROUTINE copyOutputNode(self, from) + PURE SUBROUTINE outputNode_equal_outputNode(self, from) IMPLICIT NONE CLASS(outputNode), INTENT(inout):: self @@ -52,9 +55,21 @@ MODULE moduleOutput self%mom = from%mom self%tensorS = from%tensorS - END SUBROUTINE copyOutputNode + END SUBROUTINE outputNode_equal_outputNode - PURE FUNCTION addOutputNode(self, that) RESULT(total) + PURE ELEMENTAL SUBROUTINE outputNode_equal_real(self, from) + IMPLICIT NONE + + CLASS(outputNode), INTENT(inout):: self + REAL(8), INTENT(in):: from + + self%den = from + self%mom = from + self%tensorS = from + + END SUBROUTINE outputNode_equal_real + + PURE ELEMENTAL FUNCTION outputNode_add_outputNode(self, that) RESULT(total) IMPLICIT NONE CLASS(outputNode), INTENT(in):: self @@ -65,9 +80,9 @@ MODULE moduleOutput total%mom = self%mom + that%mom total%tensorS = self%tensorS + that%tensorS - END FUNCTION addOutputNode + END FUNCTION outputNode_add_outputNode - PURE FUNCTION subOutputNode(self, that) RESULT(total) + PURE ELEMENTAL FUNCTION outputNode_sub_outputNode(self, that) RESULT(total) IMPLICIT NONE CLASS(outputNode), INTENT(in):: self @@ -78,9 +93,22 @@ MODULE moduleOutput total%mom = self%mom - that%mom total%tensorS = self%tensorS - that%tensorS - END FUNCTION subOutputNode + END FUNCTION outputNode_sub_outputNode - PURE FUNCTION divOutputNode_int(self, that) RESULT(total) + PURE ELEMENTAL FUNCTION outputNode_mul_outputNode(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + CLASS(outputNode), INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den * that%den + total%mom = self%mom * that%mom + total%tensorS = self%tensorS * that%tensorS + + END FUNCTION outputNode_mul_outputNode + + PURE ELEMENTAL FUNCTION outputNode_div_int(self, that) RESULT(total) IMPLICIT NONE CLASS(outputNode), INTENT(in):: self @@ -91,7 +119,7 @@ MODULE moduleOutput total%mom = self%mom / REAL(that) total%tensorS = self%tensorS / REAL(that) - END FUNCTION divOutputNode_int + END FUNCTION outputNode_div_int SUBROUTINE calculateOutput(rawValues, formatValues, nodeVol, speciesIn) USE moduleConstParam diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4d0ec0d..be78420 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -828,12 +828,29 @@ MODULE moduleSolver SUBROUTINE doAverage(t) USE moduleAverage + USE moduleMesh IMPLICIT NONE INTEGER, INTENT(in):: t + INTEGER:: tAverage, n + IF (useAverage) THEN - CALL averageScheme%updateAverage(t) + tAverage = t - tAverageStart + + IF (tAverage == 1) THEN + !First iteration in which average scheme is used + DO n = 1, mesh%numNodes + CALL averageScheme(n)%firstAverage(mesh%nodes(n)%obj%output) + + END DO + ELSEIF (tAverage > 1) THEN + DO n = 1, mesh%numNodes + CALL averageScheme(n)%updateAverage(mesh%nodes(n)%obj%output, tAverage) + + END DO + + END IF END IF From cab07447b590e734567ba6e33db14ea187ef5873 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 16 Dec 2022 19:27:10 +0100 Subject: [PATCH 5/8] Averge scheme documented Documentation of the average scheme for species properties. --- doc/user-manual/bibliography.bib | 11 +++++++++++ doc/user-manual/fpakc_UserManual.pdf | Bin 174638 -> 181016 bytes doc/user-manual/fpakc_UserManual.tex | 28 +++++++++++++++++++++++++-- 3 files changed, 37 insertions(+), 2 deletions(-) diff --git a/doc/user-manual/bibliography.bib b/doc/user-manual/bibliography.bib index 0ef1811..878b7ee 100644 --- a/doc/user-manual/bibliography.bib +++ b/doc/user-manual/bibliography.bib @@ -51,4 +51,15 @@ howpublished = {\url{https://gmsh.info/}}, } +@Article{welford1962note, + author = {Welford, BP}, + journal = {Technometrics}, + title = {Note on a method for calculating corrected sums of squares and products}, + year = {1962}, + number = {3}, + pages = {419--420}, + volume = {4}, + publisher = {Taylor \& Francis}, +} + @Comment{jabref-meta: databaseType:bibtex;} diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index a84376fbfd25742aa1fd9c11953d8d7b7b8171ca..66aba8b627f80119f5f78f25fd22176c034d96bb 100644 GIT binary patch delta 125670 zcmZs?Q*@@!w)P#nW7~G}#I|kQcG5|n*h$B>ZQHh!j@>aj*7slg-D`jE*y|mm4(?G0 z^PW`)SIzp(t7@0w(!=26+t4_OnTZ`uY~c9#nB>eIEZwY#0ZGUO6u=QJS;yZJ$h{Am zw^EoZ9+sX@?hHB*F!7?aSp4Yx#g)fksawP1Xw7}SyVHymD#<3qXU+2ER-G_f3hG%mDO;7YiT9%>>loucAxA{VAb9hbr@b|Z%%QqW)8 zF5omds#*e(WK_|f5Nd>$g-%BiIiIJAuqjgS1qd)wnXoY{0@k-tdIM;hsCz}6y?ja{ z2xZo&#YUU}MkNSP?Ge;uUj_)P)H&1w8I`d?6L+{IkZAfN2Kykt&E}XNlG?B3jC@;0 z+VdS`hC@W8aD}(wuzc?~vQ)S;izF}Vc77&a-SvK($Qo_Z?At5px|4?0wj3LXg7qBy0HJPAw z|NTRm7JkD_;=l-oYN`|Opxv?>jxVip z!8OV(ZmXR%M)%mNzw+ltZHol-9Ba39vUroz%G3P^G0-^LCv$jf(OSV-yh@6iYVZRC z_1gn0M0Wg_4o;fQQHN%=VLq)y5*@YGFEgfMvzrVKyoP=%T3u`qhwv z4DOA)RkJ7dafcLQ4!4pS<216uO{FLWZV6XLlx0YeFscR5d6$%&hTMNeTSRjAJ;uZ5 zl!L9gN?I3M%%l||a1;N@xwgn<6(r@5|BVSmeN#&yT%v#_X@=~_pxcLrOxdE&w2N6G zU$*Z0E)7QaX#Q zK%$~)7)W=JMG7jULhp%juNmj4XYqXq4X^HmbXnsQ$U%rA-;w_V}{Zu$ZT zc?$V=O#K(xVe4rd7R@}XTggq`-4tcf!=gxVZm{<&K}$>#99QA==H=`Eb|!K3Lsi%vi7 z{Mokp=O9)Tef=**dAE@MzFpdOv)XT(H4+u7G{sYS6&t;@V>9z1TRk7g^7nUOflA>H zx!Wv(4O&``T9jZ{)fa4SSL77kmM^$xZ1aeG>DzRVUV^BNF@Cr^v3PDH0l)8Wxy}i5jw!qDwAy6}{Rtb;jM$ilc1dRvz>%Kg z6+%W#yf7t_bCHI!oXHrEnT36TvqMV}O)c&2Kfd*rys$aj-(JPU9cG?H>b+I0ed7?5pySp3xfoe{e@7;F0U}3BRHbj#f*2GCMf!wXb(-?E9OD!({!< zaKm?|@C3spVPWS2z?nOk{Y&>bIRE1S;NVI^ zDIf>ZsWH#9sWF2HQ|Dw)L7vcJ)0(+rxZsFzLn%o^mLW5K60^xd%JR#yk+GqL#(C>(yHQAd}Zu<%gFAS4~<+W@21Jt`#DN02x}qMEK{|u5K>o#`gb{ z1lNBj!Oi;bDNc02eB}bJwW0JjeUN!&b0Z6L?u@OQQ+cQ#NVX=5(n6bS zs$eVI@{^X`-)yI2;mXGA-2}x*Dg4P_h+hH^*j;0C6TL}O=~o#Q9NKMj#M%~2tM_g4 z>I>K>a(QujJ)Sx66y$CbW61Wb@Ahs9*ndY%TZJr0<#faXI`-OV5~Bk*_pt zuc=Oz%|*DX6Ab?29F|t^Gyz~juFn$ba0`TvT2NvO)TN_V^*zwHf6;^_FUd-iXI{!m z%+1;?d#}jx$#cW}8`5`lTU(347`YDCpj46}prRk@km|?SMnL2bASpW@Q;sJ7jBR1J zN~#(dJCJyVn4kiEHs(>^^D5^`?EvJ(LKI11*Z5gbBFc7=c&<#0nBwep*kU}ds{T-D zC*gI_e!42;RS>9vxp#`mr>|r8g$H^g<`mW}P@#)P?*^rW@;0$bRWoZpVlgD8%0Wd` z$WL)5x(9KwV_dQpLxIu0|3`iUZaSHZ$#||{SV3?R+XdSl2}aKU==rb3Jx0mjqor!8 z-+1Oce1$NC<2`b{N6{MaKGWsFafL2XdRHe*8EF+0ysf~a@UQ4?^BZqGDq9g|oA!%w z-{pJu*CTy-#U-(uO@%5Q7l7k|uRV+gP9`sBjEpx*Kc`@`bF!4+S9IZ|RHxMp`#hx# zh@8|m*PrXA7DO3Y+f0TrZ`WIykl4ym^_E^KqubxbMuewr zIjGEug*Lzw`mdi+b=XmkvH=EchdiAX5nD&SQJ(5*?D87~1hM=KV%(X(r-U$md{4RY zbG2O$fC)s(4lC9)see?nxKRwoiDD4zHqW4+lzky9ThYfxh8w8T1InKmp$?tbE?~#z zo~eJts|hSS$BOs^s3;g!)?s`N(O!7wKkfG}AU=SO;}h&0*m?VJj24I8N}x~W?(9dJ zI1b!iJ|;^7d8o56N3Q84K;^+WaBs)ZG5hJPkk`J}-e`zvL_xD0b6m<7&jOGRc!Bj3 zN97O?zOwo1BmnVG;mi0lR!3S+eDn?2d8xbKZqKda=sE@0SFvCrG|Tnq<2@9Oi@yo_ zUVVX*5nF7_8=ZdsN*$=iW5#0BXlM2k>jZ%!VvGT%vkl(Q?R%gtLZ@TPIZZFb z5v_NNN#+H=QpoZy%opmnkenkdDz4MjB1L|Lg^9zrMRMDY7W&}aC-B$>3JS{UN7lbB zgW`l3+R(vrX7dvilKm{bNDl`)hBV_YMEC|KsL6!0R%qz^Fk3YBnOIj3*9E#sh&DyS z3c-l*ECDy9|Ga;^-X70bx z8B!~@uAE*dA{TpY4o6;EjC)}C)@gYA{-AvKI^k(EdjG?$KswJN1(ZlFDuxxU1=T&* z(WZOSLO?eW9{CC1|FW7y6|wZ5Q2kn5szsm3^n6@8=vIjd^Ma=nmo=sZtpey|*S?Io zH1;R5sEri4s4;RtjcAn7mKy6YR4#ffWol=5mDNu3 zD6HBlda^1^hIOrW+xAN7eM@y0LB# z8+oZK?&HOa!o$fupkWEe0DHJO*XI(?@7U8{WnJ)qOt6>!Ec~mzA=2_+#3+V*_mQc0R)Hu z!QVslReH4gEX}ldSai;z?O(0J!bG%lIiik*QW(UJScMALfo_Xm=FO(pMa`pc5P7F<5Ccs~&D

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zS9E}aSX-vSwfym2!; zC(2gfT;q}f>Tb@1NW|Rc1J`i3H^>;KL2MSnxsu&La0g&z&&RmSPe0gyVhYAN)Ed&mY)47z=+VpE1DAZkZ~o{1)lgoTrlv)t Yq-CT;$9RA)8rN|iZQAr4(97fh0Pc^)TmS$7 diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index b41f809..e5c0d4f 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -1,4 +1,4 @@ -\documentclass[10pt,a4paper,oneside]{book} +\documentclass[10pt,a4paper,twoside]{book} \usepackage[latin1]{inputenc} \usepackage{amsmath} \usepackage{amsfonts} @@ -22,6 +22,7 @@ Author = {Jorge Gonzalez} } } +\usepackage[margin=1in]{geometry} % Reduces margins of the document % Allows breaking of URL in bibliography. \setcounter{biburllcpenalty}{7000} \setcounter{biburlucpenalty}{8000} @@ -260,6 +261,18 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Electromagnetic field} WIP. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{Average scheme} + Particle-in-cell codes has an intrinsic statistical noise associated with them. + Although this can be reduced by increasing the number of particles, this also increases the CPU requirements of the case. + + It is quite common that most cases reach a quasi-steady state after a number of iterations and time-average results can be obtained after to improve analysis, plotting and restarting the case using these time-average results as new species backgrounds. + Although this is possible to do once the simulation is finished with post-processing tools, this is limited to the amount of iterations printed. + + \Gls{fpakc} implements a simple average scheme that, after a start time provided by the user, scores a mean and standard deviation of all the main species properties, and the electromagnetic field. + This scheme is based on the Welford's online algorithm~\cite{welford1962note}. + The averaged data is written in the same format as the input mesh at the end of the simulation. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Installation} @@ -642,7 +655,7 @@ make \item \textbf{initialTime}: Real. Units of $\unit{s}$. Initial simulation time. - If no value is provided, the initial time is set to $\unit[0]{s}$. + If no value is provided, the initial time is set to $\unit[0.0]{s}$. \item \textbf{pusher}: Character. Array dimension 'number of species'. Indicates the type of pusher used for each species: @@ -684,6 +697,17 @@ make File must be located at \textbf{output.path}. \end{itemize} \end{itemize} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{average} + This object determines the use of an average scheme. + If this object exists in the input file, average will be written at the end of the simulation. + Acceptable values are: + \begin{itemize} + \item \textbf{startTime}: Real. + Units in $\unit{s}$. + Simulation physical time in which average scheme will start to compute the mean and standard validation. + If no value is provided, the initial time is set to $\unit[0.0]{s}$. + \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{interactions}\label{ssec:input_interactions} This object determine the different interactions among species. From dd1fca3fee5dad0bf31e7a93ef333cd5da335aa8 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 20 Dec 2022 15:51:43 +0100 Subject: [PATCH 6/8] Fix for node volume An issue in the node volume calculation in cylindrical coordinates was found. This was causing wrong conservation of current. Still to test with ALPHIE_Grid case. Still to check triangular element. Still to theck 1D radial geometry --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 15 +++++++++++++-- .../mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 | 10 ++++++---- 2 files changed, 19 insertions(+), 6 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 0a6b7f4..0ac01f3 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -249,7 +249,7 @@ MODULE moduleMesh2DCyl dr = self%r(2) - self%r(1) dz = self%z(2) - self%z(1) IF (dr /= 0.D0) THEN - r(2) = dr*DSQRT(rnd) + self%r(1) + r(2) = dr * DSQRT(rnd) + self%r(1) r(1) = dz * (r(2) - self%r(1))/dr + self%z(1) ELSE @@ -320,7 +320,18 @@ MODULE moduleMesh2DCyl fPsi = self%fPsi(xi) r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ - self%arNodes = fPsi*r*detJ + xi = (/-5.D-1, -5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(1) = fPsi(1)*r*detJ + xi = (/ 5.D-1, -5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(2) = fPsi(2)*r*detJ + xi = (/ 5.D-1, 5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(3) = fPsi(3)*r*detJ + xi = (/-5.D-1, 5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(4) = fPsi(4)*r*detJ END SUBROUTINE areaQuad diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 2dcb7f6..7eade3e 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -151,8 +151,9 @@ MODULE moduleMeshOutputGmsh2 INTEGER:: n REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName - CHARACTER (LEN=iterationDigits):: tstring + CHARACTER (LEN=iterationDigits):: tString CHARACTER(:), ALLOCATABLE:: title + CHARACTER (LEN=2):: cString SELECT TYPE(self) TYPE IS(meshParticles) @@ -168,9 +169,9 @@ MODULE moduleMeshOutputGmsh2 IF (collOutput) THEN time = DBLE(t)*tauMin*ti_ref - WRITE(tstring, iterationFormat) t + WRITE(tString, iterationFormat) t - fileName='OUTPUT_' // tstring// '_Collisions.msh' + fileName='OUTPUT_' // tString// '_Collisions.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) @@ -178,7 +179,8 @@ MODULE moduleMeshOutputGmsh2 DO k = 1, nCollPairs DO c = 1, interactionMatrix(k)%amount - WRITE(title, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c + WRITE(cString, "(I2)") c + title = '"Pair ' // interactionMatrix(k)%sp_i%name // '-' // interactionMatrix(k)%sp_j%name // ' collision ' // cString CALL writeGmsh2HeaderElementData(60, title, t, time, 1, self%numVols) DO n=1, self%numVols WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%tallyColl(k)%tally(c) From e9c86b4678ba9447c0f7cab1f683f4273147e5ce Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 24 Dec 2022 11:30:20 +0100 Subject: [PATCH 7/8] Modification of Weighting scheme The weighting scheme has been modified so that particles are splitted without modifying the weight. I have to look a bit more into this. --- src/modules/moduleSolver.f90 | 22 ++++++++-------------- 1 file changed, 8 insertions(+), 14 deletions(-) diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index be78420..d0b2d01 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -660,24 +660,18 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part CLASS(meshVol), POINTER, INTENT(in):: volOld CLASS(meshVol), POINTER, INTENT(inout):: volNew - REAL(8):: fractionVolume, fractionWeight - INTEGER:: nSplit + REAL(8):: fractionVolume, pSplit - !If particle has change cell, call Weighting scheme - IF (volOld%n /= volNew%n) THEN + !If particle changes volume to smaller cell + IF (volOld%volume > volNew%volume) THEN fractionVolume = volOld%volume/volNew%volume - part%weight = part%weight * fractionVolume + !Calculate probability of splitting particle + pSplit = 1.D0 - DEXP(-fractionVolume) - fractionWeight = part%weight / part%species%weight - - IF (fractionWeight >= 2.D0) THEN - nSplit = FLOOR(fractionWeight) - CALL splitParticle(part, nSplit, volNew) - - ELSEIF (part%weight < 1.D0) THEN - !Particle has lost statistical meaning and will be terminated - part%n_in = .FALSE. + IF (random() < pSplit THEN + !Split particle in two + CALL splitParticle(part, 2, volNew) END IF From a8bea6102f362b62d83fc323fc118d412e8e0329 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 24 Dec 2022 11:41:12 +0100 Subject: [PATCH 8/8] Final commit for volume nodes 1D Rad is fixed. Still there might be an issue with the triangles in 2D Cyl. --- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 11 +++++++++-- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 6 +++++- 2 files changed, 14 insertions(+), 3 deletions(-) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 57619ee..660a313 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -260,10 +260,17 @@ MODULE moduleMesh1DRad Xii = 0.D0 fPsi = self%fPsi(Xii) detJ = self%detJac(Xii) + !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) l = 2.D0*detJ - self%volume = r*l - self%arNodes = fPsi*r*l + self%volume = r*l + !Computes volume per node + xi = (/-5.D-1, 0.D0, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(1) = fPsi(1)*r*l + xi = (/ 5.D-1, 0.D0, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(2) = fPsi(2)*r*l END SUBROUTINE areaRad diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 0ac01f3..c576c71 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -318,8 +318,10 @@ MODULE moduleMesh2DCyl xi = 0.D0 detJ = self%detJac(xi)*PI8 !4*2*pi fPsi = self%fPsi(xi) + !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) - self%volume = r*detJ + self%volume = r*detJ + !Computes volume per node xi = (/-5.D-1, -5.D-1, 0.D0/) r = DOT_PRODUCT(self%fPsi(xi),self%r) self%arNodes(1) = fPsi(1)*r*detJ @@ -712,8 +714,10 @@ MODULE moduleMesh2DCyl xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) detJ = self%detJac(xi)*PI !2PI*1/2 fPsi = self%fPsi(xi) + !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ + !Computes volume per node self%arNodes = fPsi*r*detJ END SUBROUTINE areaTria