Replace built-in linear system solver with LAPACK

.github/workflows/ci.yml

@@ -14,7 +14,7 @@ jobs:
     steps:
     - uses: actions/checkout@v4
     - name: Install dependencies
-      run: sudo apt-get install -y --no-install-recommends gfortran libhdf5-openmpi-dev libopenmpi-dev
+      run: sudo apt-get install -y --no-install-recommends gfortran libhdf5-openmpi-dev libopenmpi-dev libblas-dev liblapack-dev
     - name: Install ED2
       run: |
         cd ED/build
@@ -43,7 +43,7 @@ jobs:
       with:
         name: ed2-binary
     - name: Install dependencies
-      run: sudo apt-get install -y --no-install-recommends gfortran libhdf5-openmpi-dev libopenmpi-dev
+      run: sudo apt-get install -y --no-install-recommends gfortran libhdf5-openmpi-dev libopenmpi-dev libblas-dev liblapack-dev
     - name: Run ED2
       working-directory: ./EDTS/
       run: |

BRAMS/build/bin/Makefile

@@ -23,7 +23,7 @@ endif
 
 
 #----- Compiler commands. -----------------------------------------------------------------#
-INCLUDES         = $(PAR_INCS) -I$(UTILS_INCS) $(HDF5_INCS) $(MPI_INCS) 
+INCLUDES         = $(PAR_INCS) -I$(UTILS_INCS) $(HDF5_INCS) $(MPI_INCS) $(LAPACK_INCS)
 F90_COMMAND      = $(F_COMP) -c $(F_OPTS) $(INCLUDES) $(PAR_DEFS)
 F90_LOWO_COMMAND = $(F_COMP) -c $(F_LOWO_OPTS) $(INCLUDES) $(PAR_DEFS)
 FPP_COMMAND      = $(F_COMP) -c -DUSE_INTERF=$(USE_INTERF) -DUSENC=$(USENC) -D$(CMACH)     \
@@ -63,7 +63,7 @@ gendep:
 $(EXE): $(LIBMODEL) $(MAINOBJ)
 	@echo ""
 	$(LOADER) -o $(EXE) rammain.o $(LOADER_OPTS) $(LIBMODEL) \
-	$(HDF4_LIBS) $(HDF5_LIBS) $(PAR_LIBS) $(NC_LIBS) $(LIBS)
+	$(HDF4_LIBS) $(HDF5_LIBS) $(PAR_LIBS) $(LAPACK_LIBS) $(NC_LIBS) $(LIBS)
 	@echo ""
 	@echo Finished building === $(EXE)
 	@echo ""

BRAMS/build/bin/include.mk.opt.32intel

@@ -54,6 +54,22 @@ HDF5_LIBS=-L/n/Moorcroft_Lab/Users/mlongo/util/hdflib/hdf5_32/hdf5/lib \
 # may benefit from collective I/O, then use this flag = 1
 # Otherwise, set it to zero.
 
+
+#------------------------------------------------------------------------------------------#
+#     Linear Algebra Package (LAPACK) libraries.                                           #
+#                                                                                          #
+#     Lapack is a well-established package for solving linear systems in Fortran. This is  #
+# more efficient than the former built-in solution, and thus it became the new default.    #
+#                                                                                          #
+#     For those compiling the code with Intel compilers (ifort/icc), leave these empty and #
+# compile the code with the Math Kernel Library option instead (-mkl or -qmkl depending on #
+# the ifort/icc version). Otherwise, provide the path to Lapack installation.              #
+#------------------------------------------------------------------------------------------#
+LAPACK_PATH=
+LAPACK_INCS=
+LAPACK_LIBS=
+#------------------------------------------------------------------------------------------#
+
 USE_COLLECTIVE_MPIO=0
 
 #---------------------------------------------------------------
@@ -222,11 +238,11 @@ MOD_EXT=mod
 #                  face problems. If it successfully compiles, then you can switch to B.   #
 #------------------------------------------------------------------------------------------#
 #USE_INTERF=0
-#F_OPTS= -FR -O0 -recursive -Vaxlib  -check all -g -fpe0 -ftz -gen-interfaces            \
+#F_OPTS= -FR -O0 -recursive -qmkl -Vaxlib  -check all -g -fpe0 -ftz -gen-interfaces        \
         -warn interfaces -debug extended -debug inline_debug_info -debug-parameters all \
         -traceback -ftrapuv -fp-stack-check -implicitnone -openmp -static
 #C_OPTS= -O0 -DLITTLE  -g -traceback -debug extended -static
-#LOADER_OPTS= -FR -O0 -Vaxlib  -check all -g -fpe0 -ftz -gen-interfaces \
+#LOADER_OPTS= -FR -O0 -recursive -qmkl -Vaxlib  -check all -g -fpe0 -ftz -gen-interfaces \
             -warn interfaces -debug extended -debug inline_debug_info  \
             -debug-parameters all -traceback -ftrapuv -fp-stack-check -implicitnone -openmp -static
 #C_LOADER_OPTS=-v -g -traceback
@@ -241,13 +257,13 @@ MOD_EXT=mod
 #    Note, however, that if you change arguments you should first try A.                   #
 #------------------------------------------------------------------------------------------#
 USE_INTERF=1
-F_OPTS= -FR -O0 -recursive -Vaxlib  -check all -g -fpe0 -ftz  -debug extended \
+F_OPTS= -FR -O0 -recursive -qmkl -Vaxlib  -check all -g -fpe0 -ftz  -debug extended \
          -debug inline_debug_info -static -debug-parameters all -traceback -ftrapuv \
          -fp-stack-check -implicitnone -openmp
 C_OPTS= -O0 -DLITTLE  -g -traceback -debug extended -static
-LOADER_OPTS= -FR -O0 -Vaxlib -static -check all -g -fpe0 -ftz -debug extended        \
-              -debug inline_debug_info -debug-parameters all -traceback -ftrapuv \
-              -fp-stack-check -implicitnone -openmp
+LOADER_OPTS= -FR -O0 -recursive -qmkl -Vaxlib -static -check all -g -fpe0 -ftz \
+              -debug extended -debug inline_debug_info -debug-parameters all -traceback \
+              -ftrapuv -fp-stack-check -implicitnone -openmp
 C_LOADER_OPTS=-v -g -traceback -static
 #------------------------------------------------------------------------------------------#
 
@@ -259,11 +275,11 @@ C_LOADER_OPTS=-v -g -traceback -static
 #    failing or giving instabilities, or funny results after a long time.                  #
 #------------------------------------------------------------------------------------------#
 #USE_INTERF=1
-#F_OPTS= -FR -O2 -recursive -Vaxlib  -check all -g -fpe0 -ftz  -debug extended \
+#F_OPTS= -FR -O2 -recursive -qmkl -Vaxlib  -check all -g -fpe0 -ftz  -debug extended \
         -debug inline_debug_info -debug-parameters all -traceback -ftrapuv \
         -fp-stack-check -implicitnone -openmp -static
 #C_OPTS= -O2 -DLITTLE  -g -traceback -debug extended -static
-#LOADER_OPTS= -FR -O2 -Vaxlib  -check all -g -fpe0 -ftz -debug extended        \
+#LOADER_OPTS= -FR -O2 -Vaxlib -recursive -qmkl -check all -g -fpe0 -ftz -debug extended        \
              -debug inline_debug_info -debug-parameters all -traceback -ftrapuv \
              -fp-stack-check -implicitnone -openmp -static
 #C_LOADER_OPTS=-v -g -traceback -static
@@ -276,10 +292,10 @@ C_LOADER_OPTS=-v -g -traceback -static
 #    or if you have a good idea of which problem you are dealing with.                     #
 #------------------------------------------------------------------------------------------#
 #USE_INTERF=1
-#F_OPTS= -FR -O2 -recursive -Vaxlib -check all -fpe0 -ftz  -traceback -ftrapuv \
+#F_OPTS= -FR -O2 -recursive -qmkl -Vaxlib -check all -fpe0 -ftz  -traceback -ftrapuv \
          -fp-stack-check -implicitnone -openmp
 #C_OPTS= -O2 -DLITTLE -traceback
-#LOADER_OPTS= -FR -O2 -Vaxlib  -check all -fpe0 -ftz -traceback -ftrapuv \
+#LOADER_OPTS= -FR -O2 -Vaxlib -recursive -qmkl -check all -fpe0 -ftz -traceback -ftrapuv \
               -fp-stack-check -implicitnone -openmp
 #C_LOADER_OPTS=-v -traceback
 #------------------------------------------------------------------------------------------#
@@ -292,9 +308,9 @@ C_LOADER_OPTS=-v -g -traceback -static
 #           velopers.                                                                      #
 #------------------------------------------------------------------------------------------#
 #USE_INTERF=1
-#F_OPTS= -FR -O3 -recursive -Vaxlib -traceback
+#F_OPTS= -FR -O3 -recursive -qmkl -Vaxlib -traceback
 #C_OPTS= -O3 -DLITTLE -traceback
-#LOADER_OPTS= -FR -O3 -Vaxlib  -traceback
+#LOADER_OPTS= -FR -O3 -recursive -qmkl -Vaxlib -traceback
 #C_LOADER_OPTS=-v -traceback
 #------------------------------------------------------------------------------------------#
 

BRAMS/build/bin/include.mk.opt.gfortran

@@ -56,6 +56,22 @@ HDF5_LIBS=-lz -L/opt/hdf5/1.8.1/ompi-tcp-gnu41/lib \
 
 
 
+#------------------------------------------------------------------------------------------#
+#     Linear Algebra Package (LAPACK) libraries.                                           #
+#                                                                                          #
+#     Lapack is a well-established package for solving linear systems in Fortran. This is  #
+# more efficient than the former built-in solution, and thus it became the new default.    #
+#                                                                                          #
+#     For those compiling the code with Intel compilers (ifort/icc), leave these empty and #
+# compile the code with the Math Kernel Library option instead (-mkl or -qmkl depending on #
+# the ifort/icc version). Otherwise, provide the path to Lapack installation.              #
+#------------------------------------------------------------------------------------------#
+LAPACK_PATH=/usr/local/opt/lapack
+LAPACK_INCS=-I$(LAPACK_PATH)/include
+LAPACK_LIBS=-L$(LAPACK_PATH)/lib -llapack -lblas
+#------------------------------------------------------------------------------------------#
+
+
 # HDF libraries-------------------------------------------------
 # HDF4 library: Instructions to install: www.cptec.inpe.br/brams
 # If you run "configure" script, you don't need to edit line bellow

BRAMS/build/bin/include.mk.opt.gnu

@@ -62,6 +62,22 @@ HDF4_LIBS=-L./.hdf4_libs -lmfhdf -ldf -lz -ljpeg -lsz
 USE_MPIWTIME=0
 
 
+#------------------------------------------------------------------------------------------#
+#     Linear Algebra Package (LAPACK) libraries.                                           #
+#                                                                                          #
+#     Lapack is a well-established package for solving linear systems in Fortran. This is  #
+# more efficient than the former built-in solution, and thus it became the new default.    #
+#                                                                                          #
+#     For those compiling the code with Intel compilers (ifort/icc), leave these empty and #
+# compile the code with the Math Kernel Library option instead (-mkl or -qmkl depending on #
+# the ifort/icc version). Otherwise, provide the path to Lapack installation.              #
+#------------------------------------------------------------------------------------------#
+LAPACK_PATH=/usr/local/opt/lapack
+LAPACK_INCS=-I$(LAPACK_PATH)/include
+LAPACK_LIBS=-L$(LAPACK_PATH)/lib -llapack -lblas
+#------------------------------------------------------------------------------------------#
+
+
 #----------------- SGI -n32 ------------------------------------
 #CMACH=SGI
 #F_COMP=f90

BRAMS/build/bin/include.mk.opt.intel

@@ -62,6 +62,22 @@ HDF5_LIBS= -lz -lm -L$(HDF5_PATH)/lib -lhdf5 -lhdf5_fortran -lhdf5_hl
 #------------------------------------------------------------------------------------------#
 
 
+#------------------------------------------------------------------------------------------#
+#     Linear Algebra Package (LAPACK) libraries.                                           #
+#                                                                                          #
+#     Lapack is a well-established package for solving linear systems in Fortran. This is  #
+# more efficient than the former built-in solution, and thus it became the new default.    #
+#                                                                                          #
+#     For those compiling the code with Intel compilers (ifort/icc), leave these empty and #
+# compile the code with the Math Kernel Library option instead (-mkl or -qmkl depending on #
+# the ifort/icc version). Otherwise, provide the path to Lapack installation.              #
+#------------------------------------------------------------------------------------------#
+LAPACK_PATH=
+LAPACK_INCS=
+LAPACK_LIBS=
+#------------------------------------------------------------------------------------------#
+
+
 
 #------------------------------------------------------------------------------------------#
 #     If you have a version of hdf5 compiled in parallel, then you may benefit from        #
@@ -130,7 +146,7 @@ endif
 #------------------------------------------------------------------------------------------#
 ifeq ($(KIND_COMP),A)
    USE_INTERF=0
-   F_OPTS= -FR -O0 -recursive  -check all -g -debug extended -debug-parameters used        \
+   F_OPTS= -FR -O0 -recursive -qmkl -check all -g -debug extended -debug-parameters used   \
            -fpe0 -no-ftz -traceback -ftrapuv -fp-stack-check -implicitnone                 \
            -assume byterecl -warn unused -warn uncalled -warn usage -gen-interfaces
    C_OPTS= -O0 -DLITTLE  -g -traceback
@@ -139,7 +155,7 @@ ifeq ($(KIND_COMP),A)
 endif
 ifeq ($(KIND_COMP),B)
    USE_INTERF=0
-   F_OPTS= -FR -O0 -recursive  -check all -g -debug extended -debug-parameters used        \
+   F_OPTS= -FR -O0 -recursive -qmkl -check all -g -debug extended -debug-parameters used   \
            -fpe0 -no-ftz -traceback -ftrapuv -fp-stack-check -implicitnone                 \
            -assume byterecl -warn unused -warn uncalled -warn usage -warn interfaces
    C_OPTS= -O0 -DLITTLE  -g -traceback
@@ -148,7 +164,7 @@ ifeq ($(KIND_COMP),B)
 endif
 ifeq ($(KIND_COMP),C)
    USE_INTERF=1
-   F_OPTS= -FR -O0 -recursive  -check all -g -debug extended -debug-parameters used        \
+   F_OPTS= -FR -O0 -recursive -qmkl -check all -g -debug extended -debug-parameters used   \
            -fpe0 -no-ftz -traceback -ftrapuv -fp-stack-check -implicitnone                 \
            -assume byterecl
    C_OPTS= -O0 -DLITTLE  -g -traceback
@@ -157,17 +173,17 @@ ifeq ($(KIND_COMP),C)
 endif
 ifeq ($(KIND_COMP),D)
    USE_INTERF=1
-   F_OPTS= -FR -O0 -recursive -check all-fpe0 -no-ftz -traceback -ftrapuv -fp-stack-check  \
-           -implicitnone -assume byterecl
+   F_OPTS= -FR -O0 -recursive -qmkl -check all-fpe0 -no-ftz -traceback -ftrapuv            \
+           -fp-stack-check -implicitnone -assume byterecl
    C_OPTS= -O0 -DLITTLE  -g -traceback
    LOADER_OPTS=$(F_OPTS)
    #---------------------------------------------------------------------------------------#
 endif
 ifeq ($(KIND_COMP),E)
    USE_INTERF=1
-   F_OPTS= -FR -O3 -recursive -traceback -assume byterecl
+   F_OPTS= -FR -O3 -recursive -qmkl -traceback -assume byterecl
    C_OPTS= -O3 -DLITTLE -traceback
-   F_LOWO_OPTS=-FR -O2 -recursive -traceback -assume byterecl
+   F_LOWO_OPTS=-FR -O2 -recursive -qmkl -traceback -assume byterecl
    LOADER_OPTS=$(F_OPTS)
    #---------------------------------------------------------------------------------------#
 endif

BRAMS/build/bin/include.mk.opt.macosx

@@ -78,6 +78,22 @@ NC_LIBS=-L/dev/null
 # --------------------------------------------------------------
 
 
+#------------------------------------------------------------------------------------------#
+#     Linear Algebra Package (LAPACK) libraries.                                           #
+#                                                                                          #
+#     Lapack is a well-established package for solving linear systems in Fortran. This is  #
+# more efficient than the former built-in solution, and thus it became the new default.    #
+#                                                                                          #
+#     For those compiling the code with Intel compilers (ifort/icc), leave these empty and #
+# compile the code with the Math Kernel Library option instead (-mkl or -qmkl depending on #
+# the ifort/icc version). Otherwise, provide the path to Lapack installation.              #
+#------------------------------------------------------------------------------------------#
+LAPACK_PATH=/usr/local/opt/lapack
+LAPACK_INCS=-I$(LAPACK_PATH)/include
+LAPACK_LIBS=-L$(LAPACK_PATH)/lib -llapack -lblas
+#------------------------------------------------------------------------------------------#
+
+
 # MPI_Wtime. ---------------------------------------------------
 # If USE_MPIWTIME=1, then it will use MPI libraries to compute
 # the wall time (the only double-precision intrinsic).  In case

BRAMS/build/bin/include.mk.opt.nec

@@ -63,6 +63,22 @@ HDF4_LIBS=
 USE_MPIWTIME=1
 
 
+#------------------------------------------------------------------------------------------#
+#     Linear Algebra Package (LAPACK) libraries.                                           #
+#                                                                                          #
+#     Lapack is a well-established package for solving linear systems in Fortran. This is  #
+# more efficient than the former built-in solution, and thus it became the new default.    #
+#                                                                                          #
+#     For those compiling the code with Intel compilers (ifort/icc), leave these empty and #
+# compile the code with the Math Kernel Library option instead (-mkl or -qmkl depending on #
+# the ifort/icc version). Otherwise, provide the path to Lapack installation.              #
+#------------------------------------------------------------------------------------------#
+LAPACK_PATH=/usr/local/opt/lapack
+LAPACK_INCS=-I$(LAPACK_PATH)/include
+LAPACK_LIBS=-L$(LAPACK_PATH)/lib -llapack -lblas
+#------------------------------------------------------------------------------------------#
+
+
 #----------------- SGI -n32 ------------------------------------
 #CMACH=SGI
 #F_COMP=f90