mirror of https://gitlab.com/QEF/q-e.git
171 lines
5.4 KiB
Plaintext
171 lines
5.4 KiB
Plaintext
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Turing machine at IDRIS is an IBM BlueGene/Q. The configure script pretty much
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works out of the box, you'll have to
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1. load the essl libraries module:
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module load esslsmp
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2. change the definiton of BLAS_LIBS in make.sys:
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BLAS_LIBS = -qsmp
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According to rEADME.CINECA_FERMI it would be better to use ELPA libraries
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instead of SCALAPACK, if you do please update this file.
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# make.sys. Generated from make.sys.in by configure.
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# Edited by Lorenzo Paulatto - 01/07/2014
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# compilation rules
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.SUFFIXES :
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.SUFFIXES : .o .c .f .f90
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# most fortran compilers can directly preprocess c-like directives: use
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# $(MPIF90) $(F90FLAGS) -c $<
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# if explicit preprocessing by the C preprocessor is needed, use:
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# $(CPP) $(CPPFLAGS) $< -o $*.F90
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# $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
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# remember the tabulator in the first column !!!
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.f90.o:
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$(MPIF90) $(F90FLAGS) -c $<
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# .f.o and .c.o: do not modify
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.f.o:
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$(F77) $(FFLAGS) -c $<
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.c.o:
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$(CC) $(CFLAGS) -c $<
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# topdir for linking espresso libs with plugins
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TOPDIR = /linkhome/rech/yhk/ryhk001/work/espresso.TURING
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# DFLAGS = precompilation options (possible arguments to -D and -U)
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# used by the C compiler and preprocessor
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# FDFLAGS = as DFLAGS, for the f90 compiler
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# See include/defs.h.README for a list of options and their meaning
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# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)
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# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas
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# MANUAL_DFLAGS = additional precompilation option(s), if desired
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# You may use this instead of tweaking DFLAGS and FDFLAGS
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# BEWARE: will not work for IBM xlf! Manually edit FDFLAGS
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MANUAL_DFLAGS =
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DFLAGS = -D__XLF -D__LINUX_ESSL -D__LINUX_ESSL -D__MASS -D__MPI -D__PARA $(MANUAL_DFLAGS)
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FDFLAGS = -D__XLF,-D__LINUX_ESSL,-D__LINUX_ESSL,-D__MASS,-D__MPI,-D__PARA $(MANUAL_DFLAGS)
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# IFLAGS = how to locate directories where files to be included are
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# In most cases, IFLAGS = -I../include
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IFLAGS = -I../include
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# MOD_FLAGS = flag used by f90 compiler to locate modules
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# Each Makefile defines the list of needed modules in MODFLAGS
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MOD_FLAG = -I
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# Compilers: fortran-90, fortran-77, C
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# If a parallel compilation is desired, MPIF90 should be a fortran-90
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# compiler that produces executables for parallel execution using MPI
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# (such as for instance mpif90, mpf90, mpxlf90,...);
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# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)
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# If you have a parallel machine but no suitable candidate for MPIF90,
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# try to specify the directory containing "mpif.h" in IFLAGS
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# and to specify the location of MPI libraries in MPI_LIBS
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MPIF90 = mpixlf90_r
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#F90 = bgxlf90_r
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CC = bgxlc_r
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F77 = bgxlf_r
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# C preprocessor and preprocessing flags - for explicit preprocessing,
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# if needed (see the compilation rules above)
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# preprocessing flags must include DFLAGS and IFLAGS
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CPP = cpp
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CPPFLAGS = -P -C -traditional $(DFLAGS) $(IFLAGS)
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# compiler flags: C, F90, F77
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# C flags must include DFLAGS and IFLAGS
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# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax
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CFLAGS = -O3 $(DFLAGS) $(IFLAGS)
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F90FLAGS = $(FFLAGS) -qsuffix=cpp=f90 -WF,$(FDFLAGS) $(IFLAGS) $(MODFLAGS)
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FFLAGS = -qalias=noaryovrlp:nointptr -O3 -qstrict -qdpc=e -qarch=qp -qtune=qp
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# compiler flags without optimization for fortran-77
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# the latter is NEEDED to properly compile dlamch.f, used by lapack
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FFLAGS_NOOPT = -O0
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# compiler flag needed by some compilers when the main is not fortran
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# Currently used for Yambo
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FFLAGS_NOMAIN =
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# Linker, linker-specific flags (if any)
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# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty
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LD = mpixlf90_r
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LDFLAGS = -Wl,--allow-multiple-definition
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LD_LIBS =
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# External Libraries (if any) : blas, lapack, fft, MPI
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# If you have nothing better, use the local copy :
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# BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a
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# BLAS_LIBS_SWITCH = internal
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BLAS_LIBS = -L/opt/ibmmath/essl/4.4/lib/ -qsmp
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#-lesslbg
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BLAS_LIBS_SWITCH = external
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# If you have nothing better, use the local copy :
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# LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a
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# LAPACK_LIBS_SWITCH = internal
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# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !
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# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order
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LAPACK_LIBS = /linkhome/rech/yhk/ryhk001/work/espresso.TURING/lapack-3.2/lapack.a
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LAPACK_LIBS_SWITCH = internal
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ELPA_LIBS_SWITCH = disabled
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SCALAPACK_LIBS =
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# nothing needed here if the the internal copy of FFTW is compiled
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# (needs -D__FFTW in DFLAGS)
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FFT_LIBS =
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# For parallel execution, the correct path to MPI libraries must
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# be specified in MPI_LIBS (except for IBM if you use mpxlf)
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MPI_LIBS =
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# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS
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MASS_LIBS = -lmassv -lmass_simd
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# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
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AR = ar
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ARFLAGS = ruv
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# ranlib command. If ranlib is not needed (it isn't in most cases) use
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# RANLIB = echo
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RANLIB = ranlib
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# all internal and external libraries - do not modify
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FLIB_TARGETS = all
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LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a
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LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS)
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# wget or curl - useful to download from network
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WGET = wget -O
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