Feature/aaroncblack/version update 5.3.0 (#18)

* updates to 5.3.0.  See README and CHANGELOG for more info.

build_and_run_umt.sh

@@ -1,8 +1,4 @@
 #!/bin/sh -x
-# This script will compile a basic RelWithDebInfo build of UMT.  Additional CMake options can be added to the command line args of this script, and they will be picked up and added to the UMT CMake command at the bottom of this script.
-# For a list of supported CMake options, run 'ccmake /path/to/umt/src'.
-# Do not copy this script out of the UMT repo directory, it assumes it is located next to the UMT source files in order to work.
-
 # If you have a UMT tarball, untar it.  Otherwise, git clone it from github.
 # git clone https://github.com/LLNL/UMT.git
 
@@ -11,31 +7,22 @@
 # CXX = <path to C++ compiler>
 # FC = <path to Fortran compiler>
 
-# Alternatively, you can set the compilers to point to MPI compiler wrappers, if CMake has trouble finding your MPI installation location.
+# Default to GNU
+CC=gcc
+CXX=g++
+FC=gfortran
 
-# Example using GNU
-#CC=gcc
-#CXX=g++
-#FC=gfortran
+FFLAGS=-fallow-argument-mismatch
 
-# Example using Intel
+# Intel example
 # CC=icx
 # CXX=icpx
 # FC=ifx
 
-# Example using MPI compiler wrappers
-CC=mpicc
-CXX=mpicxx
-FC=mpif90
-
-#If using CUDA, set this to point to your CUDA installation
-#export CUDA_TOOLKIT_ROOT_DIR=/usr/tce/packages/cuda/cuda-11.8.0
-
-# Desired installation path
-INSTALL_PATH=${PWD}/umt_workspace/install
 
-# Set common CMAKE args for Conduit and UMT.
-CMAKE_COMMON_ARGS="-DCMAKE_BUILD_TYPE=RelWithDebInfo -DCMAKE_INSTALL_PREFIX=${INSTALL_PATH} -DCMAKE_C_COMPILER=${CC} -DCMAKE_CXX_COMPILER=${CXX} -DCMAKE_Fortran_COMPILER=${FC}"
+# This script will compile a basic Release build of UMT.  Additional CMake options can be added to the command line args of this script, and they will be picked up and added to the UMT CMake command at the bottom of this script.
+# For a list of supported CMake options, run 'ccmake /path/to/umt/src'.
+# Do not copy this script out of the UMT repo directory, it assumes it is located next to the UMT source files in order to work.
 
 # Get directory this script is located in.  This is assumed to be the UMT repo location.
 SOURCE="${BASH_SOURCE[0]}"
@@ -46,28 +33,26 @@ while [ -h "$SOURCE" ]; do # resolve $SOURCE until the file is no longer a symli
 done
 UMT_REPO_PATH="$( cd -P "$( dirname "$SOURCE" )" >/dev/null 2>&1 && pwd )"
 
-# Create workspace for building umt and required library conduit
+# Create workspace for building umt and required libraries conduit, metis, hypre, mfem.
+INSTALL_PATH=${PWD}/umt_workspace/install
 mkdir -p ${INSTALL_PATH}
 echo Libraries will be installed to: ${INSTALL_PATH}
 
 cd umt_workspace
 
-# Git latest conduit source from github
 git clone --recurse-submodules  https://github.com/LLNL/conduit.git conduit
 mkdir build_conduit
 cd build_conduit
-# Run CMake on Conduit, compile, and install.
-cmake ${PWD}/../conduit/src ${CMAKE_COMMON_ARGS} -DBUILD_SHARED_LIBS=OFF -DENABLE_TESTS=OFF -DENABLE_EXAMPLES=OFF -DENABLE_DOCS=OFF -DENABLE_FORTRAN=ON -DENABLE_MPI=ON -DENABLE_PYTHON=OFF -DENABLE_UTILS=OFF -DENABLE_RELAY_WEBSERVER=OFF
+cmake ${PWD}/../conduit/src -DCMAKE_INSTALL_PREFIX=${INSTALL_PATH} -DCMAKE_C_COMPILER=${CC} -DCMAKE_CXX_COMPILER=${CXX} -DCMAKE_Fortran_COMPILER=${FC} -DMPI_CXX_COMPILER=mpicxx -DMPI_Fortran_COMPILER=mpifort -DBUILD_SHARED_LIBS=OFF -DENABLE_TESTS=OFF -DENABLE_EXAMPLES=OFF -DENABLE_DOCS=OFF -DENABLE_FORTRAN=ON -DENABLE_MPI=ON -DENABLE_PYTHON=OFF
 gmake -j install
 cd ..
 
-mkdir build_umt
-cd build_umt
 # Run CMake on UMT, compile, and install.
-cmake ${UMT_REPO_PATH}/src ${CMAKE_COMMON_ARGS} -DCONDUIT_ROOT=${INSTALL_PATH}
+cmake ${UMT_REPO_PATH}/src -DCMAKE_Fortran_FLAGS=${FFLAGS} -DCMAKE_BUILD_TYPE=Release -DCMAKE_CXX_COMPILER=${CXX} -DCMAKE_Fortran_COMPILER=${FC} -DCMAKE_INSTALL_PREFIX=${INSTALL_PATH} -DCONDUIT_ROOT=${INSTALL_PATH} $1
 gmake -j install
 cd ..
 
-# Test on 2D and 3D problem
 srun -n 8 ${INSTALL_PATH}/bin/test_driver -c 10 -B -d 8,8,0 --benchmark_problem 2
 srun -n 8 ${INSTALL_PATH}/bin/test_driver -c 10 -B -d 4,4,4 --benchmark_problem 2
+
+# Test UMT on SSP1 unstructured 3d mesh problem on two mpi ranks. Refine the mesh via -r and -R arguments.

src/CMakeLists.txt

@@ -7,7 +7,7 @@ set(PROJECT_NAME teton)
 # Update version information in this file.
 
 set(TETON_VERSION_MAJOR 5)
-set(TETON_VERSION_MINOR 1)
+set(TETON_VERSION_MINOR 3)
 set(TETON_VERSION_PATCH 0)
 include (cmake/Version.cmake)
 

src/cmake/InitBuildTypeCompilerFlags.cmake

@@ -34,8 +34,8 @@ if (NOT "${CMAKE_BUILD_TYPE}" STREQUAL "")
 
 	elseif("${CMAKE_CXX_COMPILER_ID}" STREQUAL "IntelLLVM")
 		set(CMAKE_CXX_FLAGS_RELEASE "-O2 -DNDEBUG")
-		set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -diag-enable=remark -traceback")
-		set(CMAKE_CXX_FLAGS_DEBUG "-O0 -g -diag-enable=remark -traceback")
+		set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "-O2 -g -diag-enable=remark")
+		set(CMAKE_CXX_FLAGS_DEBUG "-O0 -g -diag-enable=remark")
 
 	elseif("${CMAKE_CXX_COMPILER_ID}" STREQUAL "PGI")
 
@@ -74,8 +74,8 @@ if (NOT "${CMAKE_BUILD_TYPE}" STREQUAL "")
 
 	elseif("${CMAKE_Fortran_COMPILER_ID}" STREQUAL "IntelLLVM")
 		set(CMAKE_Fortran_FLAGS_RELEASE "-O2 -DNDEBUG")
-		set(CMAKE_Fortran_FLAGS_RELWITHDEBINFO "-O2 -g -warn all,noexternal,nointerfaces -diag-enable=remark -fpen=0-traceback")
-		set(CMAKE_Fortran_FLAGS_DEBUG "-O0 -g -warn all,noexternal,nointerfaces -diag-enable=remark -check all -fpen=0 -traceback")
+		set(CMAKE_Fortran_FLAGS_RELWITHDEBINFO "-O2 -g -warn all,noexternal,nointerfaces -diag-enable=remark -fpe-all=0 -fpe0 -traceback")
+		set(CMAKE_Fortran_FLAGS_DEBUG "-O0 -g -warn all,noexternal,nointerfaces -diag-enable=remark -check all -fpe-all=0 -fpe0 -traceback")
 
 	elseif("${CMAKE_Fortran_COMPILER_ID}" STREQUAL "PGI")
 

src/teton/CMakeLists.txt

@@ -58,6 +58,7 @@ if (ENABLE_CALIPER)
 endif()
 
 if (ENABLE_BLUEPRINT_INTERFACE)
+  target_sources( teton INTERFACE include/TetonSources.hh )
   target_sources( teton INTERFACE include/TetonBlueprint.hh )
   target_sources( teton INTERFACE include/TetonSurfaceTallies.hh )
   target_sources( teton INTERFACE include/TetonConduitInterface.hh )
@@ -95,6 +96,7 @@ if (ENABLE_BLUEPRINT_INTERFACE)
    install( FILES "include/TetonConduitInterface.hh" DESTINATION include )
    install( FILES "include/TetonBlueprint.hh" DESTINATION include )
    install( FILES "include/TetonSurfaceTallies.hh" DESTINATION include )
+   install( FILES "include/TetonSources.hh" DESTINATION include )
 endif()
 
 install( FILES "${PROJECT_BINARY_DIR}/teton/include/TetonVersion.hh" DESTINATION include )
@@ -120,7 +122,6 @@ if(ENABLE_TESTS)
   endif()
 
   add_executable( test_driver
-                  interface/TetonBlueprint.cc
                   driver/test_driver.cc )
 
   if (ENABLE_FIND_MPI)
@@ -140,7 +141,7 @@ if(ENABLE_TESTS)
 
   # Generally preferred to link with the Fortran compiler.
   # Intel has trouble with this, fallback on using the C++ compiler to link.
-  if ( NOT CMAKE_Fortran_COMPILER_ID STREQUAL Intel AND NOT CMAKE_Fortran_COMPILER_ID STREQUAL IntelLLVM AND NOT CMAKE_Fortran_COMPILER_ID STREQUAL NVHPC)
+  if ( NOT CMAKE_Fortran_COMPILER_ID STREQUAL "Intel" AND NOT CMAKE_Fortran_COMPILER_ID STREQUAL IntelLLVM)
     set_target_properties(test_driver PROPERTIES LINKER_LANGUAGE Fortran)
   endif ()
 

src/teton/aux/AppendSourceToPsi.F90

@@ -0,0 +1,136 @@
+#include "macros.h"
+
+!***********************************************************************
+!                       Last Update:  2023/01/10 BCY                   *
+!                                                                      *
+!   AppendSourceToPsi - Updates Psi from the previous time step to     *
+!               to account for external fixed radiation sources.       *
+!                                                                      *
+!                                                                      *
+!   We are basically adding q*c*dt to \psi_old to piggy-back off       *
+!   the existing \psi_old/(c*dt) term in the sweep                     *
+!                                                                      *
+!                                                                      *
+!***********************************************************************
+
+   subroutine AppendSourceToPsi(numSourceZones, &
+                                numSourceAngles, &
+                                numSourceGroups, &
+                                sourceZoneList,  &
+                                sourceValues) BIND(C,NAME="teton_appendsourcetopsi")
+
+   USE ISO_C_BINDING
+   use kind_mod
+   use constant_mod
+   use radconstant_mod
+   use Size_mod
+   use QuadratureList_mod
+   use SetData_mod
+   use AngleSet_mod
+   use TimeStepControls_mod
+   use Geometry_mod
+   use QuadratureList_mod
+
+   implicit none 
+
+!  Arguments
+
+   integer(C_INT), intent(in)    :: numSourceZones
+   integer(C_INT), intent(in)    :: numSourceAngles
+   integer(C_INT), intent(in)    :: numSourceGroups
+
+   integer(C_INT), intent(in)    :: sourceZoneList(numSourceZones)
+   ! This must be in units of energy per time
+   ! That is, sourceValues*c*dt/zoneVolume must have the same units as \psi
+   real(C_DOUBLE), intent(in)    :: sourceValues(numSourceGroups, numSourceAngles, numSourceZones)
+
+!  Local
+
+   type(SetData), pointer  :: Set
+   type(AngleSet), pointer :: ASet
+
+   integer    :: angle
+   integer    :: angle0
+   integer    :: polarAngle
+   integer    :: c
+   integer    :: c0
+   integer    :: g0
+   integer    :: nCornerInZone
+   integer    :: z
+   integer    :: zone
+   integer    :: NumGroupsInSet
+   integer    :: NumAnglesInSet
+   integer    :: setID
+   integer    :: nSets
+   real(adqt) :: cdt
+   real(adqt) :: volumeZone
+   real(adqt) :: src_value(numSourceGroups)
+
+   integer    :: angleSetID
+   integer    :: numAngleSets
+   integer    :: numAnglesInternal
+   integer    :: numPolarAnglesInternal
+
+!  Constants
+
+   nSets   = getNumberOfSets(Quad)
+   numAngleSets = getNumberOfAngleSets(Quad)
+   cdt = speed_light*getRadTimeStep(DtControls)
+
+! Some checks on quadrature/angle sizes:
+   numAnglesInternal = 0
+   do angleSetID = 1,numAngleSets
+      ASet => getAngleSetData(Quad,angleSetID)
+      numAnglesInternal = numAnglesInternal + ASet%NumAngles
+   enddo
+   TETON_VERIFY(Quad%QuadPtr(1)%TypeName /= 'lobatto', 'Lobatto quadratures not supported for general sources yet.')
+   if (Quad%QuadPtr(1)%TypeName == 'levelsym') then
+      TETON_VERIFY(numSourceAngles == 1 .or. numSourceAngles == numAnglesInternal, "For level symmetric, numSourceAngles must be 1 or # of total angles.")
+   elseif (Quad%QuadPtr(1)%TypeName == 'product') then
+      numPolarAnglesInternal = Quad%QuadPtr(1)%nPolarAngles
+      TETON_VERIFY(numSourceAngles == 1 .or. numSourceAngles == numAnglesInternal .or. numSourceAngles == numPolarAnglesInternal, "numSourceAngles must be 1, # of polar angles, or # of total angles.")
+   endif
+
+   TETON_VERIFY(numSourceGroups == Size%ngr, "number of source groups must match ngr in Size")
+
+   SetLoop: do setID=1,nSets
+
+     Set       => getSetData(Quad, setID)
+
+     NumGroupsInSet =  Set% Groups
+     NumAnglesInSet =  Set% NumAngles
+     g0             =  Set% g0    
+     angle0         =  Set% angle0    
+
+     AngleLoop: do angle=1,Set%NumAngles
+
+        SourceZoneLoop: do z = 1,numSourceZones
+
+           zone          = sourceZoneList(z)
+           c0            = Geom%cOffset(zone)
+           nCornerInZone = Geom%numCorner(zone)
+           volumeZone    = Geom%VolumeZone(zone)*getGeometryFactor(Size)
+
+           if (numSourceAngles == 1) then
+              src_value(1:NumGroupsInSet) = sourceValues(g0+1:g0+NumGroupsInSet, 1, z)*Size%wtiso/volumeZone
+           else if (numSourceAngles == numPolarAnglesInternal) then
+              polarAngle = Set%polarAngle(angle)
+              if (polarAngle < 1) then ! skip starting/finishing directions
+                 cycle
+              endif
+              src_value(1:NumGroupsInSet) = sourceValues(g0+1:g0+NumGroupsInSet, polarAngle, z)*Size%wtiso*two/volumeZone
+           else !if (numSourceAngles == numAnglesInternal) then
+              src_value(1:NumGroupsInSet) = sourceValues(g0+1:g0+NumGroupsInSet, angle0+angle, z)/volumeZone
+           endif
+           src_value = cdt*src_value
+
+           do c=c0+1,c0+nCornerInZone
+              Set% Psi(:,c,angle) = Set% Psi(:,c,angle) + src_value(1:NumGroupsInSet)
+           enddo
+
+        enddo SourceZoneLoop
+     enddo AngleLoop
+   enddo SetLoop
+
+   return
+   end subroutine AppendSourceToPsi