Weakphys

Distributions/Build/Makefile_Compilers

@@ -1,3 +1,10 @@
+GIT_HASH := $(shell git --no-pager describe --tags --always --dirty)
+GIT_DATE := $(firstword $(shell git --no-pager show --date=short --format="%ad" --name-only))
+GIT_BRANCH := $(shell git branch | grep "^\*" | sed 's/^..//')
+GIT_URL :=$(shell git config --get remote.origin.url)
+
+VERSION_FLAGS := -DGIT_HASH="\"$(GIT_HASH)\"" -DGIT_DATE="\"$(GIT_DATE)\"" -DGIT_BRANCH="\"$(GIT_BRANCH)\"" -DGIT_URL="\"$(GIT_URL)\""
+
 OPENMP_summit_gcc    = -fopenmp
 OPENMP_summit_pgi    = -mp
 OPENMP_summit_nvhpc  = -mp
@@ -20,6 +27,7 @@ OPENMP_OL_birch_cce  = -fopenmp
 OPENMP_OL_birch_gcc  = -fopenmp
 OPENMP_OL_spock_cce  = -fopenmp
 OPENMP_OL_spock_gcc  = -fopenmp
+OPENMP_vass          = -fopenmp 
 ifeq ($(USE_OMP),TRUE)
     OPENMP               = $(OPENMP_$(MACHINE))
 else ifeq ($(USE_OMP_OL),TRUE)
@@ -43,17 +51,17 @@ ifeq ($(USE_OACC),TRUE)
     OPENACC              = $(OPENACC_$(MACHINE))
 endif
 
-FORTRAN_sn1987b      = mpif90
-FORTRAN_ranchu       = mpif90
-FORTRAN_ranchuair    = mpif90
-FORTRAN_vass         = mpif90
-FORTRAN_sjdunham     = mpif90
+FORTRAN_sn1987b      = mpif90 -cpp
+FORTRAN_ranchu       = mpif90 -cpp
+FORTRAN_ranchuair    = mpif90 -cpp
+FORTRAN_vass         = mpif90 -cpp
+FORTRAN_sjdunham     = mpif90 -cpp
 FORTRAN_titan_gnu    = ftn -cpp
 FORTRAN_titan_cray   = ftn
 FORTRAN_titan_pgi    = ftn -Mpreprocess
 FORTRAN_darter_gnu   = ftn
 FORTRAN_darter_cray  = ftn
-FORTRAN_beacon_intel = mpiifort
+FORTRAN_beacon_intel = mpifort
 FORTRAN_paullaiu_gnu = mpif90
 FORTRAN_summitdev_gcc= mpifort -cpp
 FORTRAN_summitdev_pgi= mpifort -Mpreprocess
@@ -71,7 +79,7 @@ FORTRAN_spock_cce    = ftn
 FORTRAN_spock_gcc    = ftn
 FORTRAN_corigpu_pgi  = mpifort -Mpreprocess
 FORTRAN_ubuntu       = mpif90 -cpp
-FORTRAN              = $(FORTRAN_$(MACHINE))
+FORTRAN              = $(FORTRAN_$(MACHINE)) $(VERSION_FLAGS)
 
 SUFFIX_f90_sn1987b      =
 SUFFIX_f90_ranchu       =
@@ -159,7 +167,7 @@ FLAGS_OPTIMIZE        = $(OPTIMIZE) $(OPENMP) $(OPENACC)
 OPTIMIZE_sn1987b      = -O2 -framework Accelerate
 OPTIMIZE_ranchu       = -O2
 OPTIMIZE_ranchuair    = -O2
-OPTIMIZE_vass         = -O2 -framework Accelerate
+OPTIMIZE_vass         = -O3 -framework Accelerate -march=native
 OPTIMIZE_sjdunham     = -O2
 OPTIMIZE_titan_gnu    = -O3 -march=bdver1
 OPTIMIZE_titan_cray   =
@@ -189,7 +197,7 @@ OPTIMIZE              = $(OPTIMIZE_$(MACHINE))
 INCLUDE_HDF5_sn1987b      = -I/usr/local/Cellar/hdf5/1.10.5/include
 INCLUDE_HDF5_ranchu       = -I/usr/local/hdf5/include
 INCLUDE_HDF5_ranchuair    = -I/usr/local/Cellar/hdf5/1.12.0/include
-INCLUDE_HDF5_vass         = -I/usr/local/Cellar/hdf5/1.12.1/include
+INCLUDE_HDF5_vass         = -I/usr/local/Cellar/hdf5/1.14.4.3/include
 INCLUDE_HDF5_sjdunham     =
 INCLUDE_HDF5_titan_gnu    = # Use Module Load
 INCLUDE_HDF5_titan_cray   = # Use Module Load
@@ -242,7 +250,7 @@ INCLUDE                   = $(INCLUDE_HDF5)
 LIBRARIES_HDF5_sn1987b      = -L/usr/local/Cellar/hdf5/1.10.5/lib -lhdf5_fortran -lhdf5
 LIBRARIES_HDF5_ranchu       = -L/usr/local/hdf5/lib -lhdf5_fortran -lhdf5
 LIBRARIES_HDF5_ranchuair    = -L/usr/local/Cellar/hdf5/1.12.0/lib -lhdf5_fortran -lhdf5
-LIBRARIES_HDF5_vass         = -L/usr/local/Cellar/hdf5/1.12.1/lib -lhdf5_fortran -lhdf5
+LIBRARIES_HDF5_vass         = -L/usr/local/Cellar/hdf5/1.14.4.3/lib -lhdf5_fortran -lhdf5
 LIBRARIES_HDF5_sjdunham     =
 LIBRARIES_HDF5_titan_gnu    = # Use Module Load
 LIBRARIES_HDF5_titan_cray   = # Use Module Load

Distributions/EOSSource/Makefile_Depend

@@ -1,3 +1,12 @@
-wlEquationOfStateTableModule.o: wlKindModule.o wlThermoStateModule.o wlDependentVariablesModule.o 
-wlEOSIOModuleHDF.o: wlKindModule.o wlThermoStateModule.o wlDependentVariablesModule.o wlEquationOfStateTableModule.o wlIOModuleHDF.o
+wlEquationOfStateTableModule.o: \
+  wlKindModule.o \
+  wlThermoStateModule.o \
+  wlDependentVariablesModule.o
+
+wlEOSIOModuleHDF.o: \
+  wlKindModule.o \
+  wlThermoStateModule.o \
+  wlDependentVariablesModule.o \
+  wlEquationOfStateTableModule.o \
+  wlIOModuleHDF.o
 

Distributions/EOSSource/wlEOSInterpolationModule.f90

@@ -472,9 +472,9 @@ SUBROUTINE MonotonicityCheck( Table, Nrho, NT, NYe, Axis, Repaired )
       END DO
 
     CASE( 2 )
-      DO k = 1, NYe
+      DO k = 2, NYe - 1
         DO j = 2, NT - 1 
-          DO i = 1, Nrho
+          DO i = 2, Nrho - 1
 
             IF ( ( ( Table(i, j+1, k) - Table(i, j, k) ) * &
                  ( Table(i, j, k) - Table(i, j-1, k) ) ) < 0.) THEN 
@@ -489,8 +489,8 @@ SUBROUTINE MonotonicityCheck( Table, Nrho, NT, NYe, Axis, Repaired )
 
    CASE( 3 )
       DO k = 2, NYe - 1
-        DO j = 1, NT
-          DO i = 1, Nrho
+        DO j = 2, NT - 1
+          DO i = 2, Nrho - 1
 
             IF ( ( ( Table(i, j, k+1) - Table(i, j, k) ) * &
                  ( Table(i, j, k) - Table(i, j, k-1) ) ) < 0. ) &

Distributions/ExternalLibrary/Makefile.Flash

@@ -1,3 +1,10 @@
+GIT_HASH := $(shell git --no-pager describe --tags --always --dirty)
+GIT_DATE := $(firstword $(shell git --no-pager show --date=short --format="%ad" --name-only))
+GIT_BRANCH := $(shell git branch | grep "^\*" | sed 's/^..//')
+GIT_URL :=$(shell git config --get remote.origin.url)
+
+VERSION_FLAGS := -DGIT_HASH="\"$(GIT_HASH)\"" -DGIT_DATE="\"$(GIT_DATE)\"" -DGIT_BRANCH="\"$(GIT_BRANCH)\"" -DGIT_URL="\"$(GIT_URL)\""
+
 # name of the library -- make sure it is in the object directory
 LIBNAME = libweaklib.a
 LIBDIR = ../../../object
@@ -40,6 +47,8 @@ ifeq ($(USE_OMP),TRUE)
   FFLAGS += $(OPENMP)
 endif
 
+FFLAGS += $(VERSION_FLAGS)
+
 # command for generating a library
 MKLIB = ar -r
 

Distributions/Library/Makefile_Depend

@@ -1,7 +1,23 @@
-wlThermoStateModule.o: wlKindModule.o
-wlDependentVariablesModule.o: wlKindModule.o 
-wlGridModule.o: wlKindModule.o
-wlIOModuleHDF.o: wlKindModule.o wlThermoStateModule.o wlDependentVariablesModule.o
-wlInterpolationUtilitiesModule.o: wlKindModule.o
-wlInterpolationModule.o: wlKindModule.o wlThermoStateModule.o wlDependentVariablesModule.o wlEquationOfStateTableModule.o wlInterpolationUtilitiesModule.o
+wlThermoStateModule.o: \
+  wlKindModule.o
 
+wlDependentVariablesModule.o: \
+  wlKindModule.o 
+
+wlGridModule.o: \
+  wlKindModule.o
+
+wlIOModuleHDF.o: \
+  wlKindModule.o \
+  wlThermoStateModule.o \
+  wlDependentVariablesModule.o
+
+wlInterpolationUtilitiesModule.o: \
+  wlKindModule.o
+
+wlInterpolationModule.o: \
+  wlKindModule.o \
+  wlThermoStateModule.o \
+  wlDependentVariablesModule.o \
+  wlEquationOfStateTableModule.o \
+  wlInterpolationUtilitiesModule.o

Distributions/Library/Makefile_Library_Dependencies

@@ -26,4 +26,4 @@ wlIOModuleHDF.o: \
   wlKindModule.o \
   wlThermoStateModule.o \
   wlDependentVariablesModule.o \
-  wlIOModuleHDF.f90
+  wlIOModuleHDF.F90

Distributions/Library/wlGridModule.f90

@@ -9,18 +9,28 @@ MODULE wlGridModule
     CHARACTER(LEN=32) :: Name
     CHARACTER(LEN=32) :: Unit
     INTEGER  :: nPoints
-    INTEGER  :: LogInterp
-    REAL(dp) :: minValue
-    REAL(dp) :: maxValue
+    INTEGER  :: LogInterp = 0
+    REAL(dp) :: minValue = 0.0d0
+    REAL(dp) :: maxValue = 0.0d0
+    REAL(dp) :: minEdge  = 0.0d0 !-- only applies with Zoom
+    REAL(dp) :: maxEdge  = 0.0d0 !-- only applies with Zoom
+    REAL(dp) :: minWidth = 0.0d0 !-- only applies with Zoom
+    REAL(dp) :: Zoom = 0.0d0     !-- non-zero value means geometric spacing
     REAL(dp), DIMENSION(:), ALLOCATABLE :: Values
+    REAL(dp), DIMENSION(:), ALLOCATABLE :: Edge  !-- only applies with Zoom
+    REAL(dp), DIMENSION(:), ALLOCATABLE :: Width !-- only applies with Zoom 
   END TYPE
 
   PUBLIC :: MakeLinearGrid
   PUBLIC :: MakeLogGrid
+  PUBLIC :: MakeGeometricGrid
   PUBLIC :: AllocateGrid
-  PUBLIC :: DeallocateGrid
+  PUBLIC :: DeAllocateGrid
   PUBLIC :: DescribeGrid
 
+  PRIVATE :: ComputeZoom
+  PRIVATE :: ZeroZoom
+
 CONTAINS
 
   SUBROUTINE MakeLinearGrid( LowerBound, UpperBound, nPoints, Grid )
@@ -76,6 +86,47 @@ SUBROUTINE MakeLogGrid( LowerBound, UpperBound, nPoints, Grid )
 
   END SUBROUTINE MakeLogGrid
 
+
+  SUBROUTINE MakeGeometricGrid( LowerEdge, UpperEdge, MinWidth, nPoints, &
+                                Grid, Width, Edge, Zoom, MinCenter, MaxCenter )
+
+    INTEGER,                        INTENT(in)  :: nPoints
+    REAL(dp),                       INTENT(in)  :: LowerEdge
+    REAL(dp),                       INTENT(in)  :: UpperEdge
+    REAL(dp),                       INTENT(in)  :: MinWidth
+    REAL(dp), DIMENSION(nPoints),   INTENT(out) :: Grid 
+    REAL(dp), DIMENSION(nPoints),   INTENT(out) :: Width 
+    REAL(dp), DIMENSION(nPoints+1), INTENT(out) :: Edge
+    REAL(dp),                       INTENT(out) :: Zoom
+    REAL(dp),                       INTENT(out) :: MinCenter
+    REAL(dp),                       INTENT(out) :: MaxCenter
+
+    INTEGER  :: i
+
+    ASSOCIATE &
+      ( N   =>  nPoints, &
+        xL  =>  LowerEdge, &
+        xR  =>  UpperEdge )
+
+    call ComputeZoom( LowerEdge, UpperEdge, MinWidth, nPoints, Zoom )
+
+    Width(1) = ( xR - xL ) * ( Zoom - 1.0_DP ) / ( Zoom**N - 1.0_DP )
+    Grid (1) = xL + 0.5_DP * Width(1)
+    Edge (1) = xL
+    Edge (2) = xL + Width(1)
+    DO i = 2, N
+      Width(i)   = Width(i-1) * Zoom
+      Grid (i)   = xL + SUM( Width(1:i-1) ) + 0.5_DP * Width(i)
+      Edge (i+1) = xL + SUM( Width(1:i) )
+    END DO
+    MinCenter = Grid(1)
+    MaxCenter = Grid(N)
+
+    END ASSOCIATE !-- N, etc.
+
+  END SUBROUTINE MakeGeometricGrid
+
+
   SUBROUTINE AllocateGrid( Grid, nPoints )
 
     TYPE(GridType), INTENT(inout) :: Grid
@@ -84,13 +135,17 @@ SUBROUTINE AllocateGrid( Grid, nPoints )
     Grid % nPoints = nPoints
 
     ALLOCATE( Grid % Values(nPoints) )
+    ALLOCATE( Grid % Width(nPoints) )
+    ALLOCATE( Grid % Edge(nPoints+1) )
 
   END SUBROUTINE AllocateGrid
 
   SUBROUTINE DeAllocateGrid( Grid )
 
     TYPE(GridType), INTENT(inout) :: Grid
 
+    DEALLOCATE( Grid % Edge )
+    DEALLOCATE( GRID % Width )
     DEALLOCATE( Grid % Values )
 
   END SUBROUTINE DeAllocateGrid
@@ -113,11 +168,18 @@ SUBROUTINE DescribeGrid( Grid )
       ' ', 'Min Value = ', Grid % minValue
     WRITE(*,'(A6,A12,ES10.3E2)') &
       ' ', 'Max Value = ', Grid % maxValue
+    WRITE(*,'(A6,A12,ES10.3E2)') &
+      ' ', 'Min Width = ', Grid % minWidth
+    WRITE(*,'(A6,A12,ES10.3E2)') &
+      ' ', 'Zoom      = ', Grid % Zoom
     WRITE(*,'(A6,A12,I4.4)') &
       ' ', 'nPoints   = ', Grid % nPoints
     IF ( Grid % LogInterp == 1 ) THEN
       WRITE (*,'(A6,A27)') &
           ' ', 'Grid Logarithmically Spaced'
+    ELSE IF ( Grid % Zoom  >=  1.0d0 ) THEN
+      WRITE (*,'(A6,A25)') &
+          ' ', 'Grid Geometrically Spaced'
     ELSE
       WRITE (*,'(A6,A20)') &
           ' ', 'Grid Linearly Spaced'
@@ -128,8 +190,74 @@ SUBROUTINE DescribeGrid( Grid )
       WRITE(*,'(A8,A6,I4.4,A4,ES10.3E2)') &
         ' ','Value(', i, ') = ', Grid % Values(i)
     END DO
+    WRITE(*,*)
+
+    IF ( Grid % Zoom  >=  1.0d0 ) THEN
+      DO i = 1, size ( Grid % Width )
+        WRITE(*,'(A8,A6,I4.4,A4,ES10.3E2)') &
+          ' ','Width(', i, ') = ', Grid % Width(i)
+      END DO
+      WRITE(*,*)
+      DO i = 1, size ( Grid % Edge )
+        WRITE(*,'(A8,A5,I4.4,A4,ES10.3E2)') &
+          ' ','Edge(', i, ') = ', Grid % Edge(i)
+      END DO
+    END IF
 
   END SUBROUTINE DescribeGrid
 
+  SUBROUTINE ComputeZoom( LowerEdge, UpperEdge, MinWidth, nPoints, Zoom )
+
+    REAL(dp), INTENT(in)  :: LowerEdge
+    REAL(dp), INTENT(in)  :: UpperEdge
+    REAL(dp), INTENT(in)  :: MinWidth
+    INTEGER,  INTENT(in)  :: nPoints
+    REAL(dp), INTENT(out) :: Zoom
+
+    INTEGER :: i
+    REAL(dp) :: a, b, c
+    REAL(dp) :: fa, fb, fc
+
+    a  = 1.000001_dp
+    b  = 2.0_dp
+    fa = ZeroZoom ( a, LowerEdge, UpperEdge, MinWidth, nPoints )
+    fb = ZeroZoom ( b, LowerEdge, UpperEdge, MinWidth, nPoints )
+
+    !-- Bisection
+    do i = 1, 100
+      c  = 0.5_dp * ( a + b )
+      if ( ( b - a ) / c  <  1.0e-12_dp ) then
+        Zoom = c
+        return
+      end if
+      fc = ZeroZoom ( c, LowerEdge, UpperEdge, MinWidth, nPoints )
+      if ( sign ( 1.0_dp, fc )  ==  sign ( 1.0_dp, fa ) ) then
+        a  = c
+        fa = fc
+      else
+        b  = c
+        fb = fc
+      end if
+    end do !-- i
+
+  END SUBROUTINE ComputeZoom
+
+  FUNCTION ZeroZoom &
+             ( Zoom, LowerEdge, UpperEdge, MinWidth, nPoints ) &
+             result ( ZZ )
+
+    REAL(dp), INTENT(in) :: Zoom
+    REAL(dp), INTENT(in) :: LowerEdge
+    REAL(dp), INTENT(in) :: UpperEdge
+    REAL(dp), INTENT(in) :: MinWidth
+    INTEGER,  INTENT(in) :: nPoints
+    REAL(dp)             :: ZZ
+
+    ZZ  =  ( UpperEdge - LowerEdge ) * ( Zoom - 1.0_dp ) &
+              /  ( Zoom ** nPoints  -  1.0_dp ) &
+            -  MinWidth
+
+  END FUNCTION ZeroZoom
+
 
 END MODULE wlGridModule