Unit testing and start moving away from MPIIO format

.github/workflows/ci.yml

@@ -11,6 +11,7 @@ jobs:
     env:
       OMP_NUM_THREADS: 1
       USE_MPI: ${{ matrix.mpi && 1 || 0 }}
+      COMPILER: ${{ matrix.compiler }}
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
@@ -67,6 +68,17 @@ jobs:
         if: ${{ !matrix.mpi }}
         run: sudo apt-get install -y intel-mkl
 
+      - name: Build pFUnit
+        run: |
+          if [[ -d "/opt/intel/oneapi" ]]; then
+            source /opt/intel/oneapi/compiler/latest/env/vars.sh
+            source /opt/intel/oneapi/setvars.sh
+            if [ ${USE_MPI} = 1 ]; then
+               source /opt/intel/oneapi/mkl/latest/env/vars.sh
+            fi
+          fi
+          make COMPILER=${COMPILER} install-pfunit
+
       - name: Build (gfortran)
         if: ${{ matrix.compiler == 'gfortran' }}
         run: |
@@ -98,4 +110,4 @@ jobs:
                source /opt/intel/oneapi/mkl/latest/env/vars.sh
             fi
           fi
-          make test
+          make COMPILER=${COMPILER} USE_MPI=${USE_MPI} test

.gitignore

@@ -10,6 +10,15 @@ wigxjpf-1.5/lib/
 wigxjpf-1.5/bin/
 wigxjpf-1.5/mod/
 
+# test executables
+test/unit/test_io
+test/unit/test_mpi_io
+
+# regression test files
+test/regression/benchmarks
+test/regression/benchmarks.tar.gz
+test/regression/outputs
+
 # Windows image file caches
 Thumbs.db
 ehthumbs.db

.gitmodules

@@ -0,0 +1,3 @@
+[submodule "lib/pFUnit"]
+	path = lib/pFUnit
+	url = https://github.com/Goddard-Fortran-Ecosystem/pFUnit.git

errors.f90

@@ -0,0 +1,12 @@
+module Errors
+  implicit none
+
+  integer, parameter :: ERR_None = 0, &
+                        ERR_Default = 1, &
+                        ERR_FileNotFound = 2
+
+  type:: ErrorType
+    integer :: code = ERR_None
+    character(len=256) :: message = ""
+  end type
+end module Errors

errors.fpp

@@ -0,0 +1,16 @@
+! Error.fpp
+
+! From http://www.luckingtechnotes.com/fortran-error-handling-techniques on 23/06/2021
+
+! Macros for error handling. 
+! Enables user to store errors and exit the subroutine in single statement. 
+! Fortran preprocessor must be enabled: -fpp.
+
+! Raise Error
+! Store the error code and info (only if the current code is zero).
+! Return from the subroutine.
+#define RAISE_ERROR(msg, err) if (err%Code == ERR_None) then; err = ErrorType(Code=ERR_Default, Message=msg); end if; return;
+
+! Pass Error
+! Returns if there's an error.
+#define HANDLE_ERROR(err) if (err%Code /= ERR_None) then; print *, err%message; return; end if;

io_handler_base.f90

@@ -0,0 +1,83 @@
+module io_handler_base
+  use mpi_aux
+  use errors
+
+  implicit none
+
+  type, abstract :: ioHandlerBase
+  contains
+    procedure(open), deferred :: open
+    generic :: write => writeScalar, write1DArray, write2DArray, write2DArrayDistBlacs, write2DArrayDistColumn
+    procedure(writeScalar), deferred :: writeScalar
+    procedure(write1DArray), deferred :: write1DArray
+    procedure(write2DArray), deferred :: write2DArray
+    procedure(write2DArrayDistBlacs), deferred :: write2DArrayDistBlacs
+    procedure(write2DArrayDistColumn), deferred :: write2DArrayDistColumn
+    generic :: read => readScalar, read1DArray, read2DArray
+    procedure(readScalar), deferred :: readScalar
+    procedure(read1DArray), deferred :: read1DArray
+    procedure(read2DArray), deferred :: read2DArray
+  end type ioHandlerBase
+
+  abstract interface
+    subroutine open(this, fname, err, action, position, status, form, access)
+      import ioHandlerBase
+      import ErrorType
+      class(ioHandlerBase) :: this
+      type(ErrorType), intent(inout) :: err
+      character (len = *), intent(in) :: fname
+      character (len = *), intent(in) :: action
+      character (len = *), intent(in), optional :: position, status, form, access
+    end subroutine
+    subroutine writeScalar(this, object)
+      import ioHandlerBase
+      class(ioHandlerBase) :: this
+      class(*), intent(in) :: object
+    end subroutine
+    subroutine write1DArray(this, object)
+      import ioHandlerBase
+      class(ioHandlerBase) :: this
+      class(*), dimension(:), intent(in) :: object
+    end subroutine
+    subroutine write2DArray(this, object)
+      import ioHandlerBase
+      class(ioHandlerBase) :: this
+      class(*), dimension(:,:), intent(in) :: object
+    end subroutine
+    subroutine write2DArrayDistBlacs(this, object, descr, block_type)
+      import ioHandlerBase
+      import MPI_Datatype
+      class(ioHandlerBase) :: this
+      class(*), dimension(:,:), intent(in) :: object
+      integer, intent(in) :: descr(9)
+      type(MPI_Datatype), intent(in) :: block_type
+    end subroutine
+    subroutine write2DArrayDistColumn(this, object, mdimen)
+      import ioHandlerBase
+      import MPI_Datatype
+      class(ioHandlerBase) :: this
+      class(*), dimension(:,:), intent(in) :: object
+      integer, intent(in) :: mdimen
+    end subroutine
+    subroutine readScalar(this, object)
+      import ioHandlerBase
+      class(ioHandlerBase) :: this
+      class(*), intent(out) :: object
+    end subroutine
+    subroutine read1DArray(this, object)
+      import ioHandlerBase
+      class(ioHandlerBase) :: this
+      class(*), dimension(:), intent(out) :: object
+    end subroutine
+    subroutine read2DArray(this, object)
+      import ioHandlerBase
+      class(ioHandlerBase) :: this
+      class(*), dimension(:,:), intent(out) :: object
+    end subroutine
+  end interface
+
+  private
+
+  public :: ioHandlerBase
+
+end module