diff --git a/arch/Linux-x86-64-gfortran-static.sopt b/arch/Linux-x86-64-gfortran-static.sopt new file mode 100644 index 0000000000..38751bc18e --- /dev/null +++ b/arch/Linux-x86-64-gfortran-static.sopt @@ -0,0 +1,26 @@ +# Tested with: GFortran 4.9.1, LAPACK 3.5.0 +CC = gcc +CPP = +FC = gfortran +LD = gfortran +AR = ar -r +FFTW_INC = $(GCC_DIR)/fftw/3.3-gnu-regtest/include +FFTW_LIB = $(GCC_DIR)/fftw/3.3-gnu-regtest/lib64 +LIBINT_INC = $(GCC_DIR)/libint/1.1.4-default-gnu-regtest/include +LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-default-gnu-regtest/lib64 +LIBXC_INC = $(GCC_DIR)/libxc/2.2.0-gnu-regtest/include +LIBXC_LIB = $(GCC_DIR)/libxc/2.2.0-gnu-regtest/lib64 +DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC2 +CPPFLAGS = +FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\ + -ftree-vectorize -funroll-loops\ + -g -mtune=generic\ + -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) +LDFLAGS = $(FCFLAGS) -static +LIBS = $(LIBPATH)/liblapack-gnu-regtest.a\ + $(LIBPATH)/libblas-gnu-regtest.a\ + $(FFTW_LIB)/libfftw3.a\ + $(LIBXC_LIB)/libxcf90.a\ + $(LIBXC_LIB)/libxc.a\ + $(LIBINT_LIB)/libderiv.a\ + $(LIBINT_LIB)/libint.a diff --git a/arch/Linux-x86-64-gfortran-static.ssmp b/arch/Linux-x86-64-gfortran-static.ssmp new file mode 100644 index 0000000000..35873e7586 --- /dev/null +++ b/arch/Linux-x86-64-gfortran-static.ssmp @@ -0,0 +1,28 @@ +# Tested with: GFortran 4.9.1, LAPACK 3.5.0 +CC = gcc +CPP = +FC = gfortran +LD = gfortran +AR = ar -r +FFTW_INC = $(GCC_DIR)/fftw/3.3-gnu-regtest/include +FFTW_LIB = $(GCC_DIR)/fftw/3.3-gnu-regtest/lib64 +LIBINT_INC = $(GCC_DIR)/libint/1.1.4-default-gnu-regtest/include +LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-default-gnu-regtest/lib64 +LIBXC_INC = $(GCC_DIR)/libxc/2.2.0-gnu-regtest/include +LIBXC_LIB = $(GCC_DIR)/libxc/2.2.0-gnu-regtest/lib64 +DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC2 +CPPFLAGS = +FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\ + -fopenmp -ftree-vectorize -funroll-loops\ + -g -mtune=generic\ + -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) +LDFLAGS = $(FCFLAGS) -static\ + -Wl,--whole-archive -lpthread -Wl,--no-whole-archive +LIBS = $(LIBPATH)/liblapack-gnu-regtest.a\ + $(LIBPATH)/libblas-gnu-regtest.a\ + $(FFTW_LIB)/libfftw3.a\ + $(FFTW_LIB)/libfftw3_threads.a\ + $(LIBXC_LIB)/libxcf90.a\ + $(LIBXC_LIB)/libxc.a\ + $(LIBINT_LIB)/libderiv.a\ + $(LIBINT_LIB)/libint.a diff --git a/arch/Linux-x86-64-gfortran.psmp b/arch/Linux-x86-64-gfortran.psmp index e195fb6906..94eeb82e64 100644 --- a/arch/Linux-x86-64-gfortran.psmp +++ b/arch/Linux-x86-64-gfortran.psmp @@ -14,7 +14,7 @@ LIBXC_INC = $(GCC_DIR)/libxc/2.2.0-gnu/include LIBXC_LIB = $(GCC_DIR)/libxc/2.2.0-gnu/lib64 DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC2\ -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\ - -D__parallel -D__BLACS -D__SCALAPACK -D__NO_MPI_THREAD_SUPPORT_CHECK + -D__parallel -D__SCALAPACK CPPFLAGS = FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\ -fopenmp -ftree-vectorize -funroll-loops\ diff --git a/arch/Linux-x86-64-gfortran.sdbg b/arch/Linux-x86-64-gfortran.sdbg new file mode 100644 index 0000000000..17085b88c0 --- /dev/null +++ b/arch/Linux-x86-64-gfortran.sdbg @@ -0,0 +1,30 @@ +# Tested with: GFortran 4.9.1, LAPACK 3.5.0 +CC = gcc +CPP = +FC = gfortran +LD = gfortran +AR = ar -r +FFTW_INC = $(GCC_DIR)/fftw/3.3-gnu-regtest/include +FFTW_LIB = $(GCC_DIR)/fftw/3.3-gnu-regtest/lib64 +LIBINT_INC = $(GCC_DIR)/libint/1.1.4-default-gnu-regtest/include +LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-default-gnu-regtest/lib64 +LIBXC_INC = $(GCC_DIR)/libxc/2.2.0-gnu-regtest/include +LIBXC_LIB = $(GCC_DIR)/libxc/2.2.0-gnu-regtest/lib64 +DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC2 +CPPFLAGS = +WFLAGS = -Waliasing -Wampersand -Wc-binding-type -Wconversion\ + -Wintrinsic-shadow -Wintrinsics-std -Wline-truncation\ + -Wno-tabs -Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow\ + -Wunused-but-set-variable -Wunused-variable -Werror +FCFLAGS = $(DFLAGS) -O1 -fcheck=bounds,do,recursion,pointer -ffree-form\ + -ffree-line-length-none -fimplicit-none -fno-omit-frame-pointer\ + -g -mtune=generic -std=f2003\ + -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) $(WFLAGS) +LDFLAGS = $(FCFLAGS) -static-libgfortran +LIBS = $(LIBPATH)/liblapack-gnu-regtest.a\ + $(LIBPATH)/libblas-gnu-regtest.a\ + $(FFTW_LIB)/libfftw3.a\ + $(LIBXC_LIB)/libxcf90.a\ + $(LIBXC_LIB)/libxc.a\ + $(LIBINT_LIB)/libderiv.a\ + $(LIBINT_LIB)/libint.a diff --git a/arch/Linux-x86-64-gfortran.sopt b/arch/Linux-x86-64-gfortran.sopt index f9cfba6b5e..e3dbf802e2 100644 --- a/arch/Linux-x86-64-gfortran.sopt +++ b/arch/Linux-x86-64-gfortran.sopt @@ -1,4 +1,5 @@ -CC = cc +# Tested with: GFortran 4.9.1 +CC = gcc CPP = FC = gfortran LD = gfortran @@ -9,8 +10,8 @@ FFTW_INC = $(GCC_DIR)/fftw/3.3-gnu/include FFTW_LIB = $(GCC_DIR)/fftw/3.3-gnu/lib64 LIBINT_INC = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/include LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/lib64 -LIBXC_INC = $(GCC_DIR)/libxc/2.0.1-gnu/include -LIBXC_LIB = $(GCC_DIR)/libxc/2.0.1-gnu/lib64 +LIBXC_INC = $(GCC_DIR)/libxc/2.2.0-gnu/include +LIBXC_LIB = $(GCC_DIR)/libxc/2.2.0-gnu/lib64 DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC2\ -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 CPPFLAGS = @@ -21,6 +22,7 @@ FCFLAGS = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\ LDFLAGS = $(FCFLAGS) -static-libgfortran LIBS = $(ACML_LIB)/libacml.a\ $(FFTW_LIB)/libfftw3.a\ + $(LIBXC_LIB)/libxcf90.a\ $(LIBXC_LIB)/libxc.a\ $(LIBINT_LIB)/libderiv.a\ $(LIBINT_LIB)/libint.a diff --git a/arch/Linux-x86-64-gfortran.ssmp b/arch/Linux-x86-64-gfortran.ssmp index a9a54971c4..c3f9cdab9f 100644 --- a/arch/Linux-x86-64-gfortran.ssmp +++ b/arch/Linux-x86-64-gfortran.ssmp @@ -1,4 +1,5 @@ -CC = cc +# Tested with: GFortran 4.9.1 +CC = gcc CPP = FC = gfortran LD = gfortran @@ -9,8 +10,8 @@ FFTW_INC = $(GCC_DIR)/fftw/3.3-gnu/include FFTW_LIB = $(GCC_DIR)/fftw/3.3-gnu/lib64 LIBINT_INC = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/include LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/lib64 -LIBXC_INC = $(GCC_DIR)/libxc/2.0.1-gnu/include -LIBXC_LIB = $(GCC_DIR)/libxc/2.0.1-gnu/lib64 +LIBXC_INC = $(GCC_DIR)/libxc/2.2.0-gnu/include +LIBXC_LIB = $(GCC_DIR)/libxc/2.2.0-gnu/lib64 DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC2\ -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 CPPFLAGS = @@ -22,7 +23,7 @@ LDFLAGS = $(FCFLAGS) -static-libgfortran LIBS = $(ACML_LIB)/libacml.a\ $(FFTW_LIB)/libfftw3.a\ $(FFTW_LIB)/libfftw3_threads.a\ + $(LIBXC_LIB)/libxcf90.a\ $(LIBXC_LIB)/libxc.a\ $(LIBINT_LIB)/libderiv.a\ $(LIBINT_LIB)/libint.a -