diff --git a/install/make.inc-STELLA b/install/make.inc-STELLA deleted file mode 100644 index d630ff93f..000000000 --- a/install/make.inc-STELLA +++ /dev/null @@ -1,106 +0,0 @@ -# This make.inc has been simplified to work only for PGI at the moment and -# cleaned up to simplify editing - -# make.inc. Generated from make.inc.in by configure. - -.SUFFIXES : -.SUFFIXES : .o .c .f .f90 .F90 - -.F90.o: - $(MPIF90) $(F90FLAGS) -c $< -o $(*)_cpu.o ; \ - $(MPIF90) $(F90FLAGS) -c -DUSE_GPU $< -o $(*)_gpu.o ; \ - ld -r $(*)_cpu.o $(*)_gpu.o -o $(*).o ; \ - rm $(*)_cpu.o $(*)_gpu.o - -.f90.o: - $(MPIF90) $(CPPFLAGS) $(F90FLAGS) -c $(*).f90 -o $(*).o - -.f.o: - $(F77) $(FFLAGS) -c $< - -.c.o: - $(CC) $(CFLAGS) -c $< - - - -TOPDIR = $(dir $(abspath $(filter %make.inc,$(MAKEFILE_LIST)))) - -# Useful additional FDLAGS -# -DUSE_CUDA -# -DUSE_GPU_MPI -# -DUSE_NVTX -# -D__USE_3D_FFT -# -D__FFT_CLOCKS -DFLAGS = -D__PGI -D__FFTW -D__MPI -DUSE_CUDA -D__CLOCK_SECONDS - -FDFLAGS = $(DFLAGS) $(MANUAL_DFLAGS) - -IFLAGS = -I$(TOPDIR)/include -I../include/ -I${MAGMA_ROOT}/include -I${JDR_ROOT}/include - -MOD_FLAG = -I - -MPIF90 = mpif90 -#F90 = pgf90 -CC = pgcc -F77 = pgf77 - -CPP = cpp -CPPFLAGS = -Mpreprocess $(DFLAGS) - - -CFLAGS = -Mpreprocess -fast $(DFLAGS) $(IFLAGS) -F90FLAGS = -O3 -Mcuda=cc35,cuda8.0,madconst -Mlarge_arrays $(FDFLAGS) $(IFLAGS) $(MODFLAGS) -FFLAGS = -O3 - -FFLAGS_NOOPT = -O0 - -FFLAGS_NOMAIN = -Mnomain - -LD = mpif90 -LDFLAGS = -pgf90libs -Mcuda=cc35,cuda8.0,madconst -Mlarge_arrays -LD_LIBS = -Mcudalib=cufft,cublas -L${MAGMA_ROOT}/lib -lmagma ${JDR_LIB} - -# If you have nothing better, use the local copy via "--with-netlib" : -# BLAS_LIBS = /your/path/to/espresso/LAPACK/blas.a -# BLAS_LIBS_SWITCH = internal - -BLAS_LIBS = -L/usr/local/Cluster-Apps/intel/mkl/11.3.3.210/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_core -lmkl_pgi_thread -BLAS_LIBS_SWITCH = external - -# If you have nothing better, use the local copy via "--with-netlib" : -# LAPACK_LIBS = /your/path/to/espresso/LAPACK/lapack.a -# LAPACK_LIBS_SWITCH = internal -# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! -# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order - -LAPACK_LIBS = -LAPACK_LIBS_SWITCH = external - -SCALAPACK_LIBS = - -# nothing needed here if the the internal copy of FFTW is compiled -# (needs -D__FFTW in DFLAGS) - -FFT_LIBS = - -# HDF5 -HDF5_LIB = - -MPI_LIBS = - -# Deprecated -#MASS_LIBS = - -AR = ar -ARFLAGS = ruv - -RANLIB = ranlib - -FLIB_TARGETS = all - -LIBOBJS = $(TOPDIR)/clib/clib.a $(TOPDIR)/iotk/src/libiotk.a -LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(HDF5_LIB) $(LD_LIBS) - -WGET = wget -O - -PREFIX = /usr/local diff --git a/install/make.inc-STELLA-NVTX b/install/make.inc-STELLA-NVTX deleted file mode 100644 index ecebb8c7d..000000000 --- a/install/make.inc-STELLA-NVTX +++ /dev/null @@ -1,106 +0,0 @@ -# This make.inc has been simplified to work only for PGI at the moment and -# cleaned up to simplify editing - -# make.inc. Generated from make.inc.in by configure. - -.SUFFIXES : -.SUFFIXES : .o .c .f .f90 .F90 - -.F90.o: - $(MPIF90) $(F90FLAGS) -c $< -o $(*)_cpu.o ; \ - $(MPIF90) $(F90FLAGS) -c -DUSE_GPU $< -o $(*)_gpu.o ; \ - ld -r $(*)_cpu.o $(*)_gpu.o -o $(*).o ; \ - rm $(*)_cpu.o $(*)_gpu.o - -.f90.o: - $(MPIF90) $(CPPFLAGS) $(F90FLAGS) -c $(*).f90 -o $(*).o - -.f.o: - $(F77) $(FFLAGS) -c $< - -.c.o: - $(CC) $(CFLAGS) -c $< - - - -TOPDIR = $(dir $(abspath $(filter %make.inc,$(MAKEFILE_LIST)))) - -# Useful additional FDLAGS -# -DUSE_CUDA -# -DUSE_GPU_MPI -# -DUSE_NVTX -# -D__USE_3D_FFT -# -D__FFT_CLOCKS -DFLAGS = -D__PGI -D__FFTW -D__MPI -DUSE_CUDA -D__CLOCK_SECONDS -DUSE_NVTX - -FDFLAGS = $(DFLAGS) $(MANUAL_DFLAGS) - -IFLAGS = -I$(TOPDIR)/include -I../include/ -I${MAGMA_ROOT}/include -I${JDR_ROOT}/include - -MOD_FLAG = -I - -MPIF90 = mpif90 -#F90 = pgf90 -CC = pgcc -F77 = pgf77 - -CPP = cpp -CPPFLAGS = -Mpreprocess $(DFLAGS) - - -CFLAGS = -Mpreprocess -fast $(DFLAGS) $(IFLAGS) -F90FLAGS = -O3 -Mcuda=cc35,cuda8.0,madconst -Mlarge_arrays $(FDFLAGS) $(IFLAGS) $(MODFLAGS) -FFLAGS = -O3 - -FFLAGS_NOOPT = -O0 - -FFLAGS_NOMAIN = -Mnomain - -LD = mpif90 -LDFLAGS = -pgf90libs -Mcuda=cc35,cuda8.0,madconst -Mlarge_arrays -LD_LIBS = -Mcudalib=cufft,cublas -L${MAGMA_ROOT}/lib -lmagma ${JDR_LIB} -L${CUDA_INSTALL_PATH}/lib64 -lnvToolsExt - -# If you have nothing better, use the local copy via "--with-netlib" : -# BLAS_LIBS = /your/path/to/espresso/LAPACK/blas.a -# BLAS_LIBS_SWITCH = internal - -BLAS_LIBS = -L/usr/local/Cluster-Apps/intel/mkl/11.3.3.210/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_core -lmkl_pgi_thread -BLAS_LIBS_SWITCH = external - -# If you have nothing better, use the local copy via "--with-netlib" : -# LAPACK_LIBS = /your/path/to/espresso/LAPACK/lapack.a -# LAPACK_LIBS_SWITCH = internal -# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! -# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order - -LAPACK_LIBS = -LAPACK_LIBS_SWITCH = external - -SCALAPACK_LIBS = - -# nothing needed here if the the internal copy of FFTW is compiled -# (needs -D__FFTW in DFLAGS) - -FFT_LIBS = - -# HDF5 -HDF5_LIB = - -MPI_LIBS = - -# Deprecated -#MASS_LIBS = - -AR = ar -ARFLAGS = ruv - -RANLIB = ranlib - -FLIB_TARGETS = all - -LIBOBJS = $(TOPDIR)/clib/clib.a $(TOPDIR)/iotk/src/libiotk.a -LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(HDF5_LIB) $(LD_LIBS) - -WGET = wget -O - -PREFIX = /usr/local diff --git a/install/make.inc_pizdaint b/install/make.inc_pizdaint deleted file mode 100644 index fb6248ed8..000000000 --- a/install/make.inc_pizdaint +++ /dev/null @@ -1,173 +0,0 @@ -# make.sys. Generated from make.sys.in by configure. - -# compilation rules - -.SUFFIXES : -.SUFFIXES : .o .c .f .f90 - -# most fortran compilers can directly preprocess c-like directives: use -# $(MPIF90) $(F90FLAGS) -c $< -# if explicit preprocessing by the C preprocessor is needed, use: -# $(CPP) $(CPPFLAGS) $< -o $*.F90 -# $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o -# remember the tabulator in the first column !!! - -.f90.o: - $(MPIF90) $(F90FLAGS) -c $< - -# .f.o and .c.o: do not modify - -.f.o: - $(F77) $(FFLAGS) -c $< - -.c.o: - $(CC) $(CFLAGS) -c $< - - - -# topdir for linking espresso libs with plugins -TOPDIR = /users/mfatica/QE/qe-gpu - -# DFLAGS = precompilation options (possible arguments to -D and -U) -# used by the C compiler and preprocessor -# FDFLAGS = as DFLAGS, for the f90 compiler -# See include/defs.h.README for a list of options and their meaning -# With the exception of IBM xlf, FDFLAGS = $(DFLAGS) -# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas - -# MANUAL_DFLAGS = additional precompilation option(s), if desired -# You may use this instead of tweaking DFLAGS and FDFLAGS -# BEWARE: will not work for IBM xlf! Manually edit FDFLAGS -MANUAL_DFLAGS = -DUSE_CUDA -DUSE_NVTX -DNVTX_FFT -D__FFT_CLOCKS -#-D__USE_3D_FFT -#-D__FFT_CLOCKS -#-DUSE_NVTX -#-DUSE_GPU_MPI -#-DUSE_NVTX -DFLAGS = -D__PGI -D__FFTW -D__MPI -D__PARA $(MANUAL_DFLAGS) -FDFLAGS = $(DFLAGS) $(MANUAL_DFLAGS) - -# IFLAGS = how to locate directories where files to be included are -# In most cases, IFLAGS = -I../include - -IFLAGS = -I$(TOPDIR)/include -I../include -I/users/mfatica/QE/magma-2.0.2/include -I/users/mfatica/QE/lib_jdr - -# MOD_FLAGS = flag used by f90 compiler to locate modules -# Each Makefile defines the list of needed modules in MODFLAGS - -MOD_FLAG = -I - -# Compilers: fortran-90, fortran-77, C -# If a parallel compilation is desired, MPIF90 should be a fortran-90 -# compiler that produces executables for parallel execution using MPI -# (such as for instance mpif90, mpf90, mpxlf90,...); -# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...) -# If you have a parallel machine but no suitable candidate for MPIF90, -# try to specify the directory containing "mpif.h" in IFLAGS -# and to specify the location of MPI libraries in MPI_LIBS - -MPIF90 = ftn -#MPIF90 = mpif90 -#F90 = pgf90 -CC = pgcc -F77 = pgf77 - -# C preprocessor and preprocessing flags - for explicit preprocessing, -# if needed (see the compilation rules above) -# preprocessing flags must include DFLAGS and IFLAGS - -CPP = cpp -CPPFLAGS = -P -C -traditional $(DFLAGS) $(IFLAGS) - -# compiler flags: C, F90, F77 -# C flags must include DFLAGS and IFLAGS -# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax - -#CFLAGS = -fast $(DFLAGS) $(IFLAGS) -#F90FLAGS = -g -fast -r8 -Mcache_align -mp -Mcuda=cc35,cuda8.0,madconst $(FDFLAGS) $(IFLAGS) $(MODFLAGS) -#FFLAGS = -fast -r8 -mp - -CFLAGS = -O3 $(DFLAGS) $(IFLAGS) -Mpreprocess -#-Minfo -F90FLAGS = -O3 -Mcuda=cc60,cuda8.0,madconst -Mlarge_arrays $(FDFLAGS) $(IFLAGS) $(MODFLAGS) -Mpreprocess -#-Minfo -FFLAGS = -O3 -Mpreprocess -#-Minfo -# compiler flags without optimization for fortran-77 -# the latter is NEEDED to properly compile dlamch.f, used by lapack - -FFLAGS_NOOPT = -O0 - -# compiler flag needed by some compilers when the main is not fortran -# Currently used for Yambo - -FFLAGS_NOMAIN = -Mnomain - -# Linker, linker-specific flags (if any) -# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty - -#LD = mpif90 -LD = ftn -LDFLAGS = -pgf90libs -Mcuda=cc60,cuda8.0,madconst -Mlarge_arrays -LD_LIBS = -Mcudalib=cufft,cublas -L$(CUDATOOLKIT_HOME)/lib64 -lnvToolsExt -L/users/mfatica/QE/magma-2.0.2/lib -lmagma /users/mfatica/QE/lib_jdr/lib_jdr.a - -# External Libraries (if any) : blas, lapack, fft, MPI - -# If you have nothing better, use the local copy : -# BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a -# BLAS_LIBS_SWITCH = internal - -#BLAS_LIBS = -Wl,--start-group ${MKLROOT}/libmkl_intel_ilp64.a ${MKLROOT}/libmkl_pgi_thread.a ${MKLROOT}/libmkl_core.a -Wl,--end-group -pgf90libs -mp -lpthread -lm -ldl -BLAS_LIBS = -L${MKLROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_pgi_thread -lmkl_core -pgf90libs -mp -lpthread -lm -ldl -#BLAS_LIBS = -L/users/mfatica/QE/mkl -lmkl_rt -lpthread -lm -ldl -#BLAS_LIBS = -L${MKLROOT}/lib/intel64 -lmkl_rt -lpthread -lm -ldl -BLAS_LIBS_SWITCH = external - -# If you have nothing better, use the local copy : -# LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a -# LAPACK_LIBS_SWITCH = internal -# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! -# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order - -LAPACK_LIBS = -LAPACK_LIBS_SWITCH = external - -ELPA_LIBS_SWITCH = disabled -#SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 - -# nothing needed here if the the internal copy of FFTW is compiled -# (needs -D__FFTW in DFLAGS) - -FFT_LIBS = - -# For parallel execution, the correct path to MPI libraries must -# be specified in MPI_LIBS (except for IBM if you use mpxlf) - -MPI_LIBS = - -# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS - -MASS_LIBS = - -# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv - -AR = ar -ARFLAGS = ruv - -# ranlib command. If ranlib is not needed (it isn't in most cases) use -# RANLIB = echo - -RANLIB = ranlib - -# all internal and external libraries - do not modify - -FLIB_TARGETS = all - -LIBOBJS = $(TOPDIR)/clib/clib.a $(TOPDIR)/iotk/src/libiotk.a -LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) - -# wget or curl - useful to download from network -WGET = wget -O - -# Install directory -PREFIX = /usr/local