# 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 = /home/hsko/QE-dev # 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 #DFLAGS = -D__XLF -D__LINUX_ESSL -D__MASS -D__OPENMP -D__MPI -D__FFTW3 -D__SCALAPACK -D__PARA -D__BGQ #opt1 #FDFLAGS = -D__XLF,-D__MASS,-D__OPENMP,-D__MPI,-D__FFTW3,-D__SCALAPACK,-D__PARA,-D__BGQ # #opt2 FDFLAGS = -D__XLF,-D__MASS,-D__OPENMP,-D__MPI,-D__SCALAPACK,-D__PARA,-D__BGQ,-D__ELPA,-D__LINUX_ESSL,-D__FFTW #opt3 #FDFLAGS = -D__XLF,-D__MASS,-D__OPENMP,-D__MPI,-D__FFTW3,-D__SCALAPACK,-D__PARA,-D__BGQ #DFLAGS = -D__XLF -D__LINUX_ESSL -D__MASS -D__OPENMP -D__MPI -D__SCALAPACK -D__PARA -D__BGQ # IFLAGS = how to locate directories where files to be included are # In most cases, IFLAGS = -I../include IFLAGS = -I../include -I/home/avazquez/public/elpa/include # 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 = mpixlf90_r #F90 = bgxlf90_r CC = mpixlc_r F77 = mpixlf77_r # 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 -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 = -O3 -qp $(DFLAGS) $(IFLAGS) #FFLAGS = -O3 -qarch=qp -qtune=qp -qalias=noaryovrlp:nointptr -qsmp=omp:auto:opt -qthreaded -qmaxmem=-1 -qessl -qreport -qlist -qstrict FFLAGS = -O3 -qarch=qp -qtune=qp -qalias=noaryovrlp:nointptr -qsmp=omp:auto:opt -qthreaded -qmaxmem=-1 -qessl -qreport -qlist -qhot=fastmath -qstrict=nolibrary F90FLAGS = $(FFLAGS) -qsuffix=cpp=f90 -WF,$(FDFLAGS) $(IFLAGS) $(MODFLAGS) # compiler flags without optimization for fortran-77 # the latter is NEEDED to properly compile dlamch.f, used by lapack FFLAGS_NOOPT = -qarch=qp -qtune=qp -qstrict -O0 # compiler flag needed by some compilers when the main is not fortran # Currently used for Yambo FFLAGS_NOMAIN = # Linker, linker-specific flags (if any) # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty LD = mpixlf90_r LDFLAGS = -qp -qsmp=omp -qthreaded -Wl,--allow-multiple-definition LD_LIBS = # IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS #MASS_LIBS = /soft/compilers/ibmcmp-feb2013/xlmass/bg/7.3/bglib64/libmass.a /soft/compilers/ibmcmp-feb2013/xlmass/bg/7.3/bglib64/libmassv.a /soft/compilers/ibmcmp-feb201 3/xlmass/bg/7.3/bglib64/libmass_simd.a XLMASS_LIB = $(IBM_MAIN_DIR)/xlmass/bg/7.3/bglib64 MASS_LIBS = -L$(XLMASS_LIB) -lmass -lmassv -lmass_simd # 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 = /soft/libraries/essl/current/lib64/libesslsmpbg.a 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_LIB = -L/soft/libraries/alcf/current/xl/LAPACK/lib -llapack ESSL_LIB = -L/soft/libraries/essl/current/essl/5.1/lib64 -lesslsmpbg XLF_LIB = -L${IBM_MAIN_DIR}/xlf/bg/14.1/bglib64 -lxlf90_r -lxlopt -lxlfmath -lxl XLSMP_LIB = -L${IBM_MAIN_DIR}/xlsmp/bg/3.1/bglib64 -lxlsmp MULT = -Wl,--allow-multiple-definition LAPACK_LIBS = ${ESSL_LIB} ${LAPACK_LIB} ${ESSL_LIB} ${XLSMP_LIB} ${XLF_LIB} ${MASS_LIBS} ${MULT} ###LAPACK_LIBS =/soft/libraries/essl/current/lib64/libesslsmpbg.a /soft/libraries/alcf/current/xl/LAPACK/lib/liblapack.a ###LAPACK_LIBS = -L$(ESSL_LIB) -lesslsmpbg -L$(LAPACK_LIB) -llapack -L$(ESSL_LIB) -lesslsmpbg -L$(XLF_LIB) -lxlf90_r -L$(XLSMP_LIB) -lxlsmp -ldl -lxlopt -lxlfmath -lxl - Wl,--allow-multiple-definition LAPACK_LIBS_SWITCH = external ELPA_LIBS_SWITCH = enabled #SCALAPACK_LIBS = /soft/libraries/alcf/current/xl/SCALAPACK/lib/libscalapack.a SCALAPACK_LIBS = -L/home/avazquez/public/elpa/lib -lelpa_mt /soft/libraries/alcf/current/xl/SCALAPACK/lib/libscalapack.a # nothing needed here if the the internal copy of FFTW is compiled # (needs -D__FFTW in DFLAGS) #opt1 #FFT_LIBS = -L/soft/libraries/alcf/current/xl/FFTW3/lib -lfftw3 #opt3 #FFT_LIBS = -L/soft/libraries/alcf/current/xl/FFTW3/lib -lfftw3_omp -lfftw3 # For parallel execution, the correct path to MPI libraries must # be specified in MPI_LIBS (except for IBM if you use mpxlf) MPI_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 = echo # all internal and external libraries - do not modify FLIB_TARGETS = all LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../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