diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 8e8309b..b831bba 100644 Binary files a/doc/user-manual/fpakc_UserManual.pdf and b/doc/user-manual/fpakc_UserManual.pdf differ diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index 3249d02..ae5455f 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -10,6 +10,7 @@ \usepackage[block=ragged,backend=bibtex]{biblatex} \usepackage[acronym,toc,automake]{glossaries} \usepackage[hidelinks]{hyperref} +\usepackage[version=4]{mhchem} \hypersetup{ breaklinks = true, % Allows break links in lines colorlinks = true, % Colours links instead of ugly boxes @@ -373,14 +374,22 @@ make \begin{itemize} \item \textbf{3DCart}: Three-dimensional grid ($x \hyphen y \hyphen z$) in Cartesian coordinates.. For \Gls{gmsh} mesh format, the coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. - \item \textbf{2DCyl}: Two-dimensional grid ($z \hyphen r$) with symmetry axis at $r = 0$. - For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. + \item \textbf{2DCyl}: Two-dimensional grid ($z \hyphen r$) with symmetry axis at $r = 0$. + For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. \item \textbf{2DCart}: Two-dimensional grid ($x \hyphen y$) in Cartesian coordinates.. For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $x$ and $y$ respectively. - \item \textbf{1DRad}: One-dimensional grid ($r$) in radial coordinates - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. + \item \textbf{1DRad}: One-dimensional grid ($r$) in radial coordinates + For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. \item \textbf{1DCart}: One-dimensional grid ($x$) in Cartesian coordinates For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $x$. + \item \textbf{0D}: Zero dimension ficticius volume. + Geometry used mostly to test collisional effects. + No boundary or EM field is solved. + No injection can be implemented. + Initial state must be read from file. + No mesh file is required. + The optional argument \textbf{geometry.volume} can be used to set a ficticius volume. + Otherwise, the volume is set to 1 in non-dimensional units. \end{itemize} \item \textbf{meshType}: Character. Format of mesh file. @@ -391,6 +400,10 @@ make \item \textbf{meshFile}: Character. Mesh filename. This file is searched in the path \textbf{output.path} and must contain the file extension. + \item \textbf{volume}: Real + Units of $\unit{m^-3}$. + Used to set a ficticius volume for the \textbf{0D} geometry. + Ignored in the other cases. \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -589,14 +602,16 @@ make \begin{itemize} \item \textbf{3DCartNeutral}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) without any external force. \item \textbf{3DCartCharged}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) including the effect of the electrostatic field. - \item \textbf{2DCylNeutral}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) without any external force. - \item \textbf{2DCylCharged}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) including the effect of the electrostatic field. + \item \textbf{2DCylNeutral}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) without any external force. + \item \textbf{2DCylCharged}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) including the effect of the electrostatic field. \item \textbf{2DCartNeutral}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) without any external force. \item \textbf{2DCartCharged}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) including the effect of the electrostatic field. - \item \textbf{1DRadNeutral}: Pushes particles in a 1D cylindrical space ($r$) without any external force. - \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space ($r$) accounting the the electrostatic field. + \item \textbf{1DRadNeutral}: Pushes particles in a 1D cylindrical space ($r$) without any external force. + \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space ($r$) accounting the the electrostatic field. \item \textbf{1DCartNeutral}: Pushes particles in a 1D Cartesian space ($x$) without any external force. \item \textbf{1DCartCharged}: Pushes particles in a 1D Cartesian space ($x$) accounting the the electrostatic field. + \item \textbf{0D}: Dummy pusher for 0D geometry. + No pushing is actually done. \end{itemize} \item \textbf{WeightingScheme}: Character. Indicates the variable weighting scheme to be used in the simulation. @@ -683,11 +698,19 @@ make \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Example runs\label{ch:exampleRuns}} + This chapter presents a description of the different example files distributed with \acrshort{fpakc}. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{1D Emissive Cathode (1D\_Cathode)} Emission from a 1D cathond in both, cartesian and radial coordinates. Both cases insert the same amount of electrons from the minimum coordinate and have the same boundary conditions for particles and the electrostatic field. This case is useful to ilustrate hoy \acrshort{fpakc} can deal with different geometries by just modifiying some parameters in the input file. The same mesh file (\lstinline|mesh.msh|) is used for both cases. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{0D \ce{Ar}-\ce{Ar+} Elastic Collision (0D\_Argon)} + Test case to check the 0D geometry that includes the elastic collision between \ce{Ar} and \ce{Ar+}. + Initial states are readed from the Argon\_Initial.dat and Argon+\_Initial.dat %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{ALPHIE Grid system (ALPHIE\_Grid)} diff --git a/runs/0D_Argon/Argon+_Initial.dat b/runs/0D_Argon/Argon+_Initial.dat new file mode 100644 index 0000000..75375d1 --- /dev/null +++ b/runs/0D_Argon/Argon+_Initial.dat @@ -0,0 +1,2 @@ + # t density velocity pressure temperature + 0 1.0E+16 0.0E+0 0.0E+0 0.0E+0 0 3000 diff --git a/runs/0D_Argon/Argon_Initial.dat b/runs/0D_Argon/Argon_Initial.dat new file mode 100644 index 0000000..8aa604f --- /dev/null +++ b/runs/0D_Argon/Argon_Initial.dat @@ -0,0 +1,2 @@ + # t density velocity pressure temperature + 0 1.0E+16 0.0E+0 0.0E+0 0.0E+0 0 300 diff --git a/runs/0D_Argon/input.json b/runs/0D_Argon/input.json new file mode 100644 index 0000000..8e62d2a --- /dev/null +++ b/runs/0D_Argon/input.json @@ -0,0 +1,54 @@ + +{ + "output": { + "path": "./runs/0D_test/", + "triggerOutput": 1, + "cpuTime": true, + "numColl": true, + "EMField": true, + "folder": "test" + }, + "reference": { + "density": 1.0e16, + "mass": 6.633e-26, + "temperature": 11604.0, + "radius": 1.88e-10 + }, + "geometry": { + "type": "1DCart", + "meshType": "0D", + "meshFile": "mesh.msh", + "volume": 1e-11 + }, + "species": [ + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e0}, + {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e0} + ], + "case": { + "tau": [1.0e-6, 1.0e-6], + "time": 1.0e-3, + "pusher": ["0D", "0D"], + "initial": [ + {"speciesName": "Argon+", "initialState": "Argon+_Initial.dat"}, + {"speciesName": "Argon", "initialState": "Argon_Initial.dat"} + ] + }, + "interactions": { + "folderCollisions": "./data/collisions/", + "collisions": [ + {"species_i": "Argon", "species_j": "Argon", + "cTypes": [ + {"type": "elastic", "crossSection": "EL_Ar-Ar.dat"} + ]}, + {"species_i": "Argon+", "species_j": "Argon", + "cTypes": [ + {"type": "elastic", "crossSection": "EL_Ar-Ar.dat"} + ]} + ] + }, + "parallel": { + "OpenMP":{ + "nThreads": 5 + } + } +} diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index e945f25..f51efd2 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -33,6 +33,7 @@ MODULE moduleMesh0D !Init node SUBROUTINE initNode0D(self, n, r) USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshNode0D), INTENT(out):: self @@ -43,6 +44,8 @@ MODULE moduleMesh0D ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode0D !Get node coordinates @@ -113,19 +116,24 @@ MODULE moduleMesh0D SUBROUTINE scatter0D(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol0D), INTENT(in):: self CLASS(particle), INTENT(in):: part REAL(8):: tensorS(1:3,1:3) - TYPE(outputNode), POINTER:: vertex + CLASS(meshNode), POINTER:: node + INTEGER:: sp tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight - vertex%mom(:) = vertex%mom(:) + part%weight*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*tensorS + node => self%n1 + sp = part%species%n + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatter0D diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 73a4c1d..e96150c 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -91,6 +91,7 @@ MODULE moduleMesh1DCart SUBROUTINE initNode1DCart(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode1DCart), INTENT(out):: self @@ -105,6 +106,8 @@ MODULE moduleMesh1DCart !Allocates output ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode1DCart PURE FUNCTION getCoord1DCart(self) RESULT(r) @@ -378,26 +381,33 @@ MODULE moduleMesh1DCart SUBROUTINE scatterSegm(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol1DCartSegm), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:2) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterSegm diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index d8e5c51..99b3331 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -92,6 +92,7 @@ MODULE moduleMesh1DRad SUBROUTINE initNode1DRad(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode1DRad), INTENT(out):: self @@ -106,6 +107,8 @@ MODULE moduleMesh1DRad !Allocates output ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode1DRad PURE FUNCTION getCoord1DRad(self) RESULT(r) @@ -390,26 +393,33 @@ MODULE moduleMesh1DRad SUBROUTINE scatterRad(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol1DRadSegm), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:2) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterRad diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index c830f8d..36a182a 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -130,6 +130,7 @@ MODULE moduleMesh2DCart SUBROUTINE initNode2DCart(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode2DCart), INTENT(out):: self @@ -145,6 +146,8 @@ MODULE moduleMesh2DCart !Allocates output: ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode2DCart !Get coordinates from node @@ -494,36 +497,47 @@ MODULE moduleMesh2DCart SUBROUTINE scatterQuad(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:4) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n4%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(4) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + node => self%n4 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterQuad @@ -854,31 +868,40 @@ MODULE moduleMesh2DCart SUBROUTINE scatterTria(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:3) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterTria diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 80c0665..d4e06bd 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -131,6 +131,7 @@ MODULE moduleMesh2DCyl SUBROUTINE initNode2DCyl(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode2DCyl), INTENT(out):: self @@ -146,6 +147,8 @@ MODULE moduleMesh2DCyl !Allocates output: ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode2DCyl !Get coordinates from node @@ -515,36 +518,47 @@ MODULE moduleMesh2DCyl SUBROUTINE scatterQuad(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCylQuad), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:4) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n4%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(4) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + node => self%n4 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterQuad @@ -884,31 +898,40 @@ MODULE moduleMesh2DCyl SUBROUTINE scatterTria(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCylTria), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:3) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterTria diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index e65ff25..8c6e350 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -92,6 +92,7 @@ MODULE moduleMesh3DCart SUBROUTINE initNode3DCart(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode3DCart), INTENT(out):: self @@ -108,6 +109,8 @@ MODULE moduleMesh3DCart !Allocates output: ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode3DCart !Get coordinates from node @@ -481,36 +484,47 @@ MODULE moduleMesh3DCart SUBROUTINE scatterTetra(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:4) REAL(8):: tensorS(1:3, 1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n4%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(4) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + node => self%n4 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterTetra diff --git a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 index 678671a..5ac0682 100644 --- a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 @@ -19,6 +19,7 @@ MODULE moduleMeshInput0D TYPE IS(meshParticles) self%printOutput => printOutput0D self%printEM => printEM0D + self%readInitial => readInitial0D END SELECT self%readMesh => read0D @@ -63,4 +64,37 @@ MODULE moduleMeshInput0D END SUBROUTINE read0D + SUBROUTINE readInitial0D(sp, filename, density, velocity, temperature) + IMPLICIT NONE + + INTEGER, INTENT(in):: sp + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: temperature + REAL(8):: dummy + INTEGER:: stat + + ALLOCATE(density(1:1)) + ALLOCATE(velocity(1:1, 1:3)) + ALLOCATE(temperature(1:1)) + + OPEN(10, file = TRIM(filename)) + + !Finds the last line of data + stat = 0 + DO WHILE (stat==0) + READ(10, *, iostat = stat) + + END DO + + !Go back two line + BACKSPACE(10) + BACKSPACE(10) + + !Reads data + READ(10, *) dummy, density(1), velocity(1, 1:3), dummy, temperature(1) + + END SUBROUTINE readInitial0D + END MODULE moduleMeshInput0D diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index 6e490b4..db52de4 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -18,7 +18,8 @@ MODULE moduleMeshOutput0D fileName='OUTPUT_' // species(i)%obj%name // '.dat' IF (t == 0) THEN OPEN(20, file = path // folder // '/' // fileName, action = 'write') - WRITE(20, "(A1, 8X, A1, 6(A20))") "#","t","density", "velocity", "pressure", "temperature" + WRITE(20, "(A1, 14X, A5, A20, 40X, A20, 2(A20))") "#","t (s)","density (m^-3)", "velocity (m/s)", & + "pressure (Pa)", "temperature (K)" WRITE(*, "(6X,A15,A)") "Creating file: ", fileName CLOSE(20) @@ -26,7 +27,7 @@ MODULE moduleMeshOutput0D OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') CALL calculateOutput(self%nodes(1)%obj%output(i), output, self%nodes(1)%obj%v, species(i)%obj) - WRITE(20, "(I10, 6(ES20.6E3))") t, output%density, output%velocity, output%pressure, output%temperature + WRITE(20, "(7(ES20.6E3))") REAL(t)*tauMin*ti_ref, output%density, output%velocity, output%pressure, output%temperature CLOSE(20) END DO @@ -43,6 +44,20 @@ MODULE moduleMeshOutput0D CLASS(meshGeneric), INTENT(in):: self INTEGER, INTENT(in):: t + CHARACTER(:), ALLOCATABLE:: fileName + + fileName='OUTPUT_Collisions.dat' + IF (t == 0) THEN + OPEN(20, file = path // folder // '/' // fileName, action = 'write') + WRITE(20, "(A1, 14X, A5, A20)") "#","t (s)","collisions" + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + CLOSE(20) + + END IF + + OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') + WRITE(20, "(ES20.6E3, I20)") REAL(t)*tauMin*ti_ref, mesh%vols(1)%obj%nColl + CLOSE(20) END SUBROUTINE printColl0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index b446d76..d6fe4d7 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -292,7 +292,6 @@ MODULE moduleMeshInputGmsh2 !Reads the initial information from an output file for an species SUBROUTINE readInitialGmsh2(sp, filename, density, velocity, temperature) - USE moduleRefParam IMPLICIT NONE INTEGER, INTENT(in):: sp diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 304dd86..1f6c795 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -20,6 +20,8 @@ MODULE moduleMesh !Output values TYPE(outputNode), ALLOCATABLE:: output(:) TYPE(emNode):: emData + !Lock indicator for scattering + INTEGER(KIND=OMP_LOCK_KIND):: lock CONTAINS PROCEDURE(initNode_interface), DEFERRED, PASS:: init PROCEDURE(getCoord_interface), DEFERRED, PASS:: getCoordinates diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 73871ce..a2c48ca 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -193,7 +193,6 @@ MODULE moduleCollisions REAL(8), DIMENSION(1:3):: vCM REAL(8):: vp(1:3) - !eRel (in units of [m][L]^2[t]^-2 vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1 eRel = self%rMass*vRel**2 sigmaVrel = self%crossSec%get(eRel)*vRel diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index fed9228..27cb16e 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -348,7 +348,6 @@ MODULE moduleInput !Assign particle to temporal list of particles CALL partInitial%add(partNew) - END DO DEALLOCATE(source) @@ -768,6 +767,7 @@ MODULE moduleInput USE moduleMesh1DCart, ONLY: connectMesh1DCart USE moduleErrors USE moduleOutput + USE moduleRefParam USE json_module IMPLICIT NONE @@ -776,6 +776,7 @@ MODULE moduleInput LOGICAL:: doubleMesh CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile CHARACTER(:), ALLOCATABLE:: fullPath + REAL(8):: volume !Firstly, indicates if a specific mesh for MC collisions is being use doubleMesh = ASSOCIATED(meshForMCC, meshColl) @@ -792,6 +793,7 @@ MODULE moduleInput IF (doubleMesh) CALL initGmsh2(meshColl) CASE ("0D") + CALL config%get('geometry.meshType', meshFormat, found) CALL init0D(mesh) CASE DEFAULT @@ -812,6 +814,18 @@ MODULE moduleInput END IF + !Gets the volume for a 0D mesh + !TODO: Try to constrain this to the inout for 0D + IF (meshFormat == "0D") THEN + CALL config%get('geometry.volume', volume, found) + IF (found) THEN + mesh%vols(1)%obj%volume = mesh%vols(1)%obj%volume*volume / Vol_ref + mesh%nodes(1)%obj%v = mesh%vols(1)%obj%volume + + END IF + + END IF + !Creates the connectivity between elements SELECT CASE(mesh%geometry) CASE("3DCart") diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index 89df330..4a3f4da 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -96,7 +96,9 @@ MODULE moduleOutput IF (PRESENT(first)) THEN IF (first) THEN OPEN(20, file = path // folder // '/' // fileName, action = 'write') - WRITE(20, "(A1, 8X, A1, 9X, A1, 6(A20))") "#","t","n","total","push","reset","collision","weighting","EMField" + WRITE(20, "(A1, 8X, A1, 9X, A1, 7(A20))") "#","t","n","total (s)","push (s)","reset (s)", & + "collision (s)","coulomb (s)", & + "weighting (s)","EMField (s)" WRITE(*, "(6X,A15,A)") "Creating file: ", fileName CLOSE(20)