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#
# Generic config file for ABINIT (documented template)
#
# After editing this file to suit your needs, you may save it as
# "~/.abinit/build/<hostname>.ac" to keep these parameters as per-user
# defaults. Just replace "<hostname>" by the name of your machine,
# excluding the domain name.
#
# Example: if your machine is called "myhost.mydomain", you will save
# this file as "~/.abinit/build/myhost.ac".
#
# You may put this file at the top level of an ABINIT source tree as well,
# in which case its definitions will apply to this particular tree only.
#
# Hint: If you do not know the name of your machine, just type "hostname".
#
#
# IMPORTANT NOTES
#
# 1. Setting CPPFLAGS, CFLAGS, CXXFLAGS, or FCFLAGS manually is not
# recommended and will override any setting made by the build system.
# A gentler way to do is to use the CFLAGS_EXTRA, CXXFLAGS_EXTRA and
# FCFLAGS_EXTRA environment variables, or to override only one kind
# of flags. See the sections dedicated to C, C++ and Fortran below
# for details.
#
# 2. Do not forget to remove the leading "#" on a line when you customize
# an option.
#
# ---------------------------------------------------------------------------- #
# Global build options #
# ---------------------------------------------------------------------------- #
# Enable 64-bit compiler flags (default is no)
#
# Note: when necessary, fine-grained tuning may be achieved by setting
# the CPPFLAGS_64BITS, CFLAGS_64BITS, CXXFLAGS_64BITS, and
# FCFLAGS_64BITS variables manually.
#
#enable_64bit_flags="yes"
# Enable debug mode (default is basic)
#
# Allowed values:
#
# * no : strip debugging symbols
# * yes : keep debugging symbols and allow for user-defined flags
# * basic : add '-g' option when the compiler allows for it
# * verbose : like basic + definition of the DEBUG_VERBOSE CPP option
# * enhanced : disable optimizations and debug verbosely
# * paranoid : enhanced debugging with additional warnings
# * naughty : paranoid debugging with array bound checks
#
# Levels other than no and yes are "profile mode" levels in which
# user-defined flags are overriden and optimizations disabled (see
# below)
#
# Note: debug levels are incremental, i.e. the flags of one level are
# appended to those of the previous ones
#
#enable_debug="yes"
# Enable compiler hints (default is yes)
#
# Allowed values:
#
# * no : do not apply any hint
# * yes : apply all available hints
#
#enable_hints="no"
# Select optimization level whenever possible (default is standard,
# except when debugging is in profile mode - see above - in which case
# optimizations are turned off)
#
# Supported levels:
#
# * no : disable optimizations
# * yes : enable optimizations with user-defined flags
# * safe : build slow and very reliable code
# * standard : build fast and reliable code
# * aggressive : build very fast code, regardless of reliability
#
# Levels other than no and yes are "profile mode" levels in which
# user-defined flags are overriden
#
# Note:
#
# * this option is ignored when debugging is in profile mode
#
enable_optim="yes"
# Disable vectorization with AVX-enable processor in problematic procedures
#
#enable_avx_safe_mode="yes"
# Where to install ABINIT (default is /usr/local)
#
prefix="/usr/local/abinit"
# ---------------------------------------------------------------------------- #
# C support #
# ---------------------------------------------------------------------------- #
# C preprocessor (should not be set in most cases)
#
#CPP="/usr/bin/cpp"
# C preprocessor custom debug flags (when enable_debug=yes)
#
#CPPFLAGS_DEBUG="-DDEV_MG_DEBUG_MODE"
# C preprocessor custom optimization flags (when enable_optim=yes)
#
#CPPFLAGS_OPTIM="-DDEV_DIAGO_DP"
# C preprocessor additional custom flags
#
#CPPFLAGS_EXTRA="-P"
# Forced C preprocessor flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#CPPFLAGS="-P"
# ------------------------------ #
# C compiler
#
#CC="gcc"
# C compiler custom debug flags (when enable_debug=yes)
#
#CFLAGS_DEBUG="-g3"
# C compiler custom optimization flags (when enable_optim=yes)
#
#CFLAGS_OPTIM="-O5"
# C compiler additional custom flags
#
#CFLAGS_EXTRA="-O2"
# Forced C compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#CFLAGS="-O2"
# C linker custom debug flags (when enable_debug=yes)
#
#CC_LDFLAGS_DEBUG="-Wl,-debug"
# C linker custom optimization flags (when enable_optim=yes)
#
#CC_LDFLAGS_OPTIM="-Wl,-ipo"
# C linker additional custom flags
#
#CC_LDFLAGS_EXTRA="-Bstatic"
# Forced C linker flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#CC_LDFLAGS="-Bstatic"
# C linker custom debug libraries (when enable_debug=yes)
#
#CC_LIBS_DEBUG="-ldebug"
# C linker custom optimization libraries (when enable_optim=yes)
#
#CC_LIBS_OPTIM="-lopt_funcs"
# C linker additional custom libraries
#
#CC_LIBS_EXTRA="-lrt"
# Forced C linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#CC_LIBS="-lrt"
# ---------------------------------------------------------------------------- #
# C++ support #
# ---------------------------------------------------------------------------- #
# Note: the XPP* environment variables will likely have no effect
# C++ preprocessor (should not be set in most cases)
#
#XPP="/usr/bin/cpp"
# C++ preprocessor custom debug flags (when enable_debug=yes)
#
#XPPFLAGS_DEBUG="-DDEV_MG_DEBUG_MODE"
# C++ preprocessor custom optimization flags (when enable_optim=yes)
#
#XPPFLAGS_OPTIM="-DDEV_DIAGO_DP"
# C++ preprocessor additional custom flags
#
#XPPFLAGS_EXTRA="-P"
# Forced C++ preprocessor flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#XPPFLAGS="-P"
# ------------------------------ #
# C++ compiler
#
#CXX="g++"
# C++ compiler custom debug flags (when enable_debug=yes)
#
#CXXFLAGS_DEBUG="-g3"
# C++ compiler custom optimization flags (when enable_optim=yes)
#
#CXXFLAGS_OPTIM="-O5"
# C++ compiler additional custom flags
#
#CXXFLAGS_EXTRA="-O2"
# Forced C++ compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#CXXFLAGS="-O2"
# C++ linker custom debug flags (when enable_debug=yes)
#
#CXX_LDFLAGS_DEBUG="-Wl,-debug"
# C++ linker custom optimization flags (when enable_optim=yes)
#
#CXX_LDFLAGS_OPTIM="-Wl,-ipo"
# C++ linker additional custom flags
#
#CXX_LDFLAGS_EXTRA="-Bstatic"
# Forced C++ linker flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#CXX_LDFLAGS="-Bstatic"
# C++ linker custom debug libraries (when enable_debug=yes)
#
#CXX_LIBS_DEBUG="-ldebug"
# C++ linker custom optimization libraries (when enable_optim=yes)
#
#CXX_LIBS_OPTIM="-lopt_funcs"
# C++ linker additional custom libraries
#
#CXX_LIBS_EXTRA="-lblitz"
# Forced C++ linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#CXX_LIBS="-lblitz"
# ---------------------------------------------------------------------------- #
# Fortran support #
# ---------------------------------------------------------------------------- #
# Fortran preprocessor (should not be set in most cases)
#
#FPP="/usr/local/bin/fpp"
# Fortran preprocessor custom debug flags (when enable_debug=yes)
#
#FPPFLAGS_DEBUG="-DDEV_MG_DEBUG_MODE"
# Fortran preprocessor custom optimization flags (when enable_optim=yes)
#
#FPPFLAGS_OPTIM="-DDEV_DIAGO_DP"
# Fortran preprocessor additional custom flags
#
#FPPFLAGS_EXTRA="-P"
# Forced Fortran preprocessor flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#FPPFLAGS="-P"
# ------------------------------ #
# Fortran compiler
#
#FC="gfortran"
# Fortran 77 compiler (addition for the Windows/Cygwin environment)
#
#F77="gfortran"
# Fortran compiler custom debug flags (when enable_debug=yes)
#
#FCFLAGS_DEBUG="-g3"
# Fortran compiler custom OpenMP flags
#
#FCFLAGS_OPENMP="-fopenmp"
# Fortran compiler custom optimization flags (when enable_optim=yes)
#
#FCFLAGS_OPTIM="-O5"
# Fortran compiler additional custom flags
#
#FCFLAGS_EXTRA="-O2"
# Forced Fortran compiler flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#FCFLAGS="-O2"
# Fortran flags for fixed-form source files
#
#FCFLAGS_FIXEDFORM="-ffixed-form"
# Fortran flags for free-form source files
#
#FCFLAGS_FREEFORM="-ffree-form"
# Fortran compiler flags to use a module directory
#
#FCFLAGS_MODDIR=="-J$(abinit_moddir)"
# Tricky Fortran compiler flags
#
#FCFLAGS_HINTS="-ffree-line-length-none"
# Fortran linker custom debug flags (when enable_debug=yes)
#
#FC_LDFLAGS_DEBUG="-Wl,-debug"
# Fortran linker custom optimization flags (when enable_optim=yes)
#
#FC_LDFLAGS_OPTIM="-Wl,-ipo"
# Fortran linker custom flags
#
#FC_LDFLAGS_EXTRA="-Bstatic"
# Forced Fortran linker flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#FC_LDFLAGS="-Bstatic"
# Fortran linker custom debug libraries (when enable_debug=yes)
#
#FC_LIBS_DEBUG="-ldebug"
# Fortran linker custom optimization libraries (when enable_optim=yes)
#
#FC_LIBS_OPTIM="-lopt_funcs"
# Fortran linker additional custom libraries
#
#FC_LIBS_EXTRA="-lsvml"
# Forced Fortran linker libraries
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#FC_LIBS="-lsvml"
# ------------------------------ #
# Use C clock instead of Fortran clock for timings (default is no)
#
#enable_cclock="yes"
# Wrap Fortran compiler calls (default is auto-detected)
# Combine this option with enable_debug="yes" to keep preprocessed source
# files (they are removed by default, except if their build fails)
#
#enable_fc_wrapper="yes"
# Choose whether to read file lists from standard input or "ab.files"
# (default is yes = standard input)
#
#enable_stdin="no"
# ---------------------------------------------------------------------------- #
# Python support #
# ---------------------------------------------------------------------------- #
# Flags to pass to the Python interpreter (default is unset)
#
#PYFLAGS="-B"
# Preprocessing flags for C/Python bindings
#
#PYTHON_CPPFLAGS="-I/usr/local/include/numpy"
# ---------------------------------------------------------------------------- #
# Build customization #
# ---------------------------------------------------------------------------- #
# Enable the build of macroave (default is yes)
#
#enable_macroave="no"
# Set per-directory Fortran optimizations (useful when a Fortran compiler
# crashes during the build)
#
# Note: this option is not available through the command line
#
#fcflags_opt_95_drive="-O0"
# ---------------------------------------------------------------------------- #
# Libraries and linking #
# ---------------------------------------------------------------------------- #
# Set archiver name
#
#AR="xiar"
# Archiver custom debug flags (when enable_debug=yes)
#
#ARFLAGS_DEBUG=""
# Archiver custom optimization flags (when enable_optim=yes)
#
#ARFLAGS_OPTIM=""
# Archiver additional custom flags
#
#ARFLAGS_EXTRA="-X 64"
# Forced archiver flags
# Note: will override build-system configuration - USE AT YOUR OWN RISKS!
#
#ARFLAGS="-X 32_64"
# Some def introduced for MINGW/WINDOW$
# Set generator of index to archive
#RANLIB="ranlib"
# Set generator of list symbols from object files
#NM="nm"
# Set the linker
#LD="ld"
# ---------------------------------------------------------------------------- #
# MPI support #
# ---------------------------------------------------------------------------- #
# Determine whether to build parallel code (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI support
# * no : disable MPI support
# * yes : enable MPI support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI environment.
#
enable_mpi="yes"
# Activate the MPI_IN_PLACE option whenever possible (default is no)
# WARNING: this feature requires MPI2, ignored if the MPI library
# is not MPI2 compliant.
#
#enable_mpi_inplace="no"
# Activate parallel I/O (default is auto)
#
# Permitted values:
#
# * auto : let the configure script auto-detect MPI I/O support
# * no : disable MPI I/O support
# * yes : enable MPI I/O support
#
# If left unset, the build system will take all appropriate decisions by
# itself, and MPI I/O will be enabled only if the build environment supports
# it. If set to "yes", the configure script will stop if it does not find
# a working MPI I/O environment.
#
enable_mpi_io="yes"
# Enable MPI-IO mode in Abinit (use MPI-IO as default IO library,
# change the default values of iomode)
# Beware that not all the features of Abinit support MPI-IO,
# This options is mainly used by developers for debugging purposes.
#
#enable_mpi_io_default="no"
# Include flags for the MPI library (default is unset)
#
#with_mpi_incs="-I/usr/local/include"
# Set MPI standard level (default is auto-detected)
# Note: usually 1 for MPICH or LAM, 2 for OpenMPI
#
# Supported levels:
#
# * 1 : use 'mpif.h' header
# * 2 : use mpi Fortran module
#
#with_mpi_level="2"
# Link flags for the MPI library (default is unset)
#
#with_mpi_libs="-L/usr/local/lib -lmpi"
# Convenience option: try to set MPI parameters by looking into the
# specified directory (default is unset)
#
# Notes:
#
# * the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix;
#
# * this option is mutually exclusive with the other with_mpi_*
# options but with_mpi_level;
#
# * when setting CC, CXX, and/or FC in conjunction with this option,
# the MPI compiler wrappers are wrapped themselves, so that the
# specified serial compilers are used when building Abinit.
#
with_mpi_prefix="/usr"
# Set MPI runner for tests (default is unset)
# Note: replaces the former with_mpi_runner option
#
#MPI_RUNNER="/usr/local/bin/mpiexec"
# Set serial runner for tests (default is unset)
# Note: this option has no effect yet
#
#SERIAL_RUNNER="/usr/local/bin/srun"
# ---------------------------------------------------------------------------- #
# GPU support #
# ---------------------------------------------------------------------------- #
# Enable GPU library support (default is no)
#
# Requirement: go through README.GPU before doing anything
#
# Note: this is highly experimental - USE AT YOUR OWN RISKS!
#
enable_gpu="yes"
# Flavor of the GPU library to use (default is cuda-single)
#
# Supported libraries:
#
# * cuda-single : Cuda with single-precision arithmetic
# * cuda-double : Cuda with double-precision arithmetic
# * none : not implemented (will replace enable_gpu)
#
#with_gpu_flavor="cuda-double"
# Include flags for the GPU library (default is unset)
#
#with_gpu_incs="-I/usr/local/include/cuda"
# Link flags for the GPU library (default is unset)
#
#with_gpu_libs="-L/usr/local/cuda/lib64 -lcublas -lcufft -lcudart"
# Convenience option: try to set GPU parameters by looking into the
# specified directory (default is unset)
#
# Note 1: the build system expects to find subdirectories named bin/, lib/,
# include/ under the prefix
#
# Note 2: this option is mutually exclusive with the other with_gpu_*
# options
#
with_gpu_prefix="/usr/local/cuda-10.2"
# ------------------------------ #
#
# The following options are used to build GPU code
#
# GPU C preprocessor flags (default is unset)
#
#with_gpu_cppflags=""
# GPU C compiler flags (default is unset)
#
#with_gpu_cflags=""
# GPU C linker flags (default is unset)
#
#with_gpu_ldflags=""
# ------------------------------ #
#
# Advanced GPU options (experts only)
#
# DO NOT EDIT THIS SECTION UNLESS YOU *TRULY* KNOW WHAT YOU ARE DOING!
# In any case, the outcome of setting the following options is highly
# impredictible.
# nVidia C compiler (should not be set)
#
#NVCC="/usr/local/cuda/bin/nvcc"
# Forced nVidia C compiler preprocessing flags (should not be set)
#
#NVCC_CPPFLAGS="-DHAVE_CUDA_SDK"
# Forced nVidia C compiler flags (should not be set)
#
#NVCC_CFLAGS="-arch=sm_13"
# Forced nVidia linker flags (should not be set)
#
#NVCC_LDFLAGS=""
# Forced nVidia linker libraries (should not be set)
#
#NVCC_LIBS=""
# ---------------------------------------------------------------------------- #
# Connectors #
# ---------------------------------------------------------------------------- #
# WARNING: when setting the value of a connector flavor to "custom",
# the associated CPP options may be defined in an impredictable
# manner by the build system. In particular, using
# --with-linalg-flavor="custom" will systematically enable
# support for ScaLAPACK. Checking which CPP options are
# enabled by looking at the output of abinit is thus highly
# recommended.
# Enable connectors (default is yes)
#
# When connectors are enabled, the build system of Abinit tries to link
# prioritarily with external libraries. In some cases, when
# unsuccessful, it can build an internal fallback instead (see the
# "Fallbacks" section below).
#
# Enabling connectors is necessary for packaging and is recommended in
# most other cases. Rely upon external optimized libraries is always smarter
# than embedding their source code, as their performance and integration
# within the local environment are usually significantly better.
#
# The connectors are associated to advanced detection mechanisms
# implemented in the build system of Abinit. On many architectures, if
# the corresponding libraries have been properly installed, specifying
# a flavor will suffice to enable the related features.
#
#enable_connectors="no"
# ---------------------------------------------------------------------------- #
# Timer library connector #
# ---------------------------------------------------------------------------- #
# Flavor of the timer library to use (default is papi)
#
# Supported libraries:
#
# * abinit
# * custom (bypass build-system checks)
# * gptl (not implemented)
# * none (disable timer support)
# * papi
#
#with_timer_flavor="papi"
# Include flags for the timer library (default is unset)
#
#with_timer_incs="-I/usr/local/include/papi"
# Link flags for the timer library (default is unset)
#
#with_timer_libs="-L/usr/local/lib/papi -lpapi"
# ---------------------------------------------------------------------------- #
# Transferable I/O (TRIO) connector #
# ---------------------------------------------------------------------------- #
# Flavor of transferable I/O library to support (default is netcdf)
#
# By transferable I/O (TRIO), we mean that the files produced by Abinit
# will be transferable seamlessly to other computers and codes
#
# Supported libraries:
#
# * psml : XML pseudopotential format io library
# * netcdf : NetCDF file format
# * yaml : YAML output
# * none : disable TRIO support
#
# You may specify any combination, using '+' as a separator
#
with_trio_flavor="netcdf"
# ------------------------------ #
# Include flags for the psml library (default is unset)
#
#with_psml_incs="-I/usr/local/include/psml"
# Link flags for the psml library (default is unset)
#
#with_psml_libs="-L/usr/local/lib/psml -lpsml"
# ------------------------------ #
# Include flags for the NetCDF library (default is unset)
#
#with_netcdf_incs="-I/usr/local/include/netcdf"
# Link flags for the NetCDF library (default is unset)
#
#with_netcdf_libs="-L/usr/local/lib/netcdf -lnetcdff -lnetcdf"
#
#
# Enable Netcdf mode in Abinit (use netcdf as default IO library,
# change the default values of iomode)
#
#enable_netcdf_default="no"
# ------------------------------ #
# Include flags for the YAML library (default is unset)
#
#with_yaml_incs="-I/opt/etsf/include"
# Link flags for the YAML library (default is unset)
#
#with_yaml_libs="-L/opt/etsf/lib -lyaml_fortran"
# ---------------------------------------------------------------------------- #
# FFT connector #
# ---------------------------------------------------------------------------- #
# Flavor of FFT library to support (default is unset)
#
# Supported libraries:
#
# * asl
# * custom (bypass build-system checks)
# * fftw2
# * fftw2-threads
# * fftw3
# * fftw3-mkl
# * fftw3-threads
# * fftw3-mpi (highly experimental)
# * dfti (native MKL FFT library)
# * dfti-threads (threaded MKL FFT library)
# * none (disable external FFT support)
# * sgimath
#
# Notes:
#
# * By default, Abinit will use the internal Goedecker FFT library
# * This connector is highly experimental - USE AT YOUR OWN RISKS!
#
with_fft_flavor="fftw3-mkl"
# Include flags for the FFT library (default is unset)
#
with_fft_incs="-I${MKLROOT}/include -I${MKLROOT}/include/intel64/ilp64 -I${MKLROOT}/include/fftw"
# Link flags for the FFT library (default is unset)
#
with_fft_libs="-L$(MKLROOT)/lib/intel64_lin -lmkl_blas95_ilp64 -lmkl_lapack95_ilp64 -Wl,--start-group -lmkl_gf_ilp64 -lmkl_gnu_thread -lmkl_core -Wl,--end-group -lgomp -lpthread -lm -ldl -lstdc++ -lgfortran -lfftw3xc_gnu -lfftw3xf_gnu"
# ---------------------------------------------------------------------------- #
# Linear algebra connector #
# ---------------------------------------------------------------------------- #
# Flavor of linear algebra libraries to use (default is netlib)
#
# Supported libraries:
#
# * acml : AMD Core Math Libraries
# http://developer.amd.com/libraries/acml/pages/default.aspx
#
# * asl : NEC Advanced Scientific Library
# http://www.nec.co.jp/solution/hpc/library/asl_e/index.html
#
# * atlas : Automatically Tuned Linear Algebra Software
# http://math-atlas.sourceforge.net/
#
# * custom : just check user-specified libraries, do not try to
# detect their type
#
# * essl : IBM Engineering and Scientific Subroutine Library
# http://www-03.ibm.com/systems/software/essl/
#
# * elpa : Eigen soLvers for Petaflops Applications
# http://elpa.rzg.mpg.de
#
# * goto : TACC GOTOBLAS2 and Netlib's LAPACK
# http://www.tacc.utexas.edu/tacc-projects/gotoblas2
#
# * magma : Matrix Algebra on GPU and Multicore Architectures
# (MAGMA minimal version>=1.1.0, requires Cuda)
# http://icl.cs.utk.edu/magma/
#
# * mkl : Intel Math Kernel Library
# http://software.intel.com/en-us/articles/intel-mkl/
#
# * mlib : HP Mathematical Software Library
# http://www.hp.com/
#
# * netlib : Netlib repository reference libraries
# http://www.netlib.org/lapack/index.html
#
# * none : disable external linear algebra support
#
# * plasma : Parallel Linear Algebra for Scalable Multicore
# Architectures (requires MPI)
# http://icl.cs.utk.edu/plasma/
# *** SCHEDULED FOR ABINIT 6.14 ***
#
# * scalapack : Netlib BLACS and ScaLAPACK libraries (require MPI)
# http://www.netlib.org/scalapack/
#
# * sgimath : Silicon Graphics Scientific Mathematical Library
# http://techpubs.sgi.com/library/tpl/cgi-bin/init.cgi
#
# * sunperf : Sun Performance Library
# http://blogs.oracle.com/hinkthink/entry/sun_performance_library_aka_perflib
#
# Notes:
#
# * you may combine "magma" and/or "plasma" and/or "scalapack" with
# any other flavor, using '+' as a separator
#
# * "custom" also works when the Fortran compiler provides a full
# BLAS+LAPACK implementation internally (e.g. Lahey Fortran)
#
# * the include and link flags for MAGMA and ScaLAPACK have to be
# specified together with those of BLAS and LAPACK (see options below)
#
# * please consult the MKL link line advisor if you experience
# problems with MKL, by going to
# http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
#
with_linalg_flavor="mkl+magma"
# Include flags for the external linear algebra libraries (default is unset)
#
with_linalg_incs="-I/usr/local/magma/include -I${MKLROOT}/include -I${MKLROOT}/include/intel64/ilp64"
# Link flags for the external linear algebra libraries (default is unset)
#
with_linalg_libs="-L/usr/local/magma/lib -lmagma -lmagma_sparse -L$(MKLROOT)/lib/intel64_lin -lmkl_blas95_ilp64 -lmkl_lapack95_ilp64 -Wl,--start-group -lmkl_gf_ilp64 -lmkl_gnu_thread -lmkl_core -Wl,--end-group -lgomp -lpthread -lm -ldl -lstdc++ -lgfortran"
# ---------------------------------------------------------------------------- #
# Algorithmic library connector #
# ---------------------------------------------------------------------------- #
# Flavor of the algorithmic library to use (default is unset)
#
# Supported libraries:
#
# * custom (bypass build-system checks)
# * levmar
# * none (disable external algorithm support)
#
#with_algo_flavor="levmar"
# Include flags for the algorithmic libraries (default is unset)
#
#with_algo_incs="-I/usr/local/include"
# Link flags for the algorithmic libraries (default is unset)
#
#with_algo_libs="-L/usr/local/lib -llevmar"
# ---------------------------------------------------------------------------- #
# Mathematical library connector #
# ---------------------------------------------------------------------------- #
# Flavor of the math library to use (default is none)
#
# Supported libraries:
#
# * custom (bypass build-system checks)
# * gsl
# * mlib
# * none (disable external math support)
#
#with_math_flavor="gsl"
# Include flags for the math library (default is unset)
#
#with_math_incs="-I/usr/local/include/gsl"
# Link flags for the math library (default is unset)
#
#with_math_libs="-L/usr/local/lib/gsl -lgsl"
# ---------------------------------------------------------------------------- #
# DFT library connector #
# ---------------------------------------------------------------------------- #
# Flavor of the DFT library to use (default is atompaw+bigdft+libxc+wannier90)
#
# Supported libraries:
#
# * atompaw : PAW dataset generation
# * bigdft : wavelets
# * libxc : exchange-correlation functionals
# * none : disable external DFT support
# * wannier90 : Wannier functions
#
# You may specify any combination, using '+' as a separator
#
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
# ------------------------------ #
# Full path to the AtomPAW executables (default is unset)
#
#with_atompaw_bins="/usr/local/bin"
# Include flags for the AtomPAW library (default is unset)
#
#with_atompaw_incs="-I/usr/local/include/atompaw"
# Link flags for the AtomPAW library (default is unset)
#
#with_atompaw_libs="-L/usr/local/lib/atompaw -latompaw"
# ------------------------------ #
# Include flags for the BigDFT library (default is unset)
#
#with_bigdft_incs="-I/usr/local/include/bigdft"
# Link flags for the BigDFT library (default is unset)
#
#with_bigdft_libs="-L/usr/local/lib/bigdft -lbigdft -lpoissonsolver -labinit"
# ------------------------------ #
# Include flags for the LibXC library (default is unset)
#
#with_libxc_incs="-I/opt/etsf/include"
# Link flags for the LibXC library (default is unset)
#
#with_libxc_libs="-L/opt/etsf/lib -lxc"
# ------------------------------ #
# Full path to the Wannier90 executables (default is unset)
#
#with_wannier90_bins="/usr/local/bin"
# Include flags for the Wannier90 library (default is unset)
#
#with_wannier90_incs="-I/usr/local/include/wannier90"
# Link flags for the Wannier90 library (default is unset)
#
#with_wannier90_libs="-L${HOME}/lib/wannier90 -lwannier90"
# Flag to force wannier90 v1.x (autodetected by default, but may not work)
#
#enable_wannier90_v1="no"
# ---------------------------------------------------------------------------- #
# LIBXML support
# ---------------------------------------------------------------------------- #
# Flag to enable LIBXML library
#
#enable_xml=no
# ---------------------------------------------------------------------------- #
# DMFT library connector #
# ---------------------------------------------------------------------------- #
# Link with TRIQS library (for CTQMC and rotationally invariant interaction)
# (default is no)
# Different versions of TRIQS have differents API. Choose your installed
# version.
#
#enable_triqs_v2_0="no"
#enable_triqs_v1_4="no"
#
# Include flags for the TRIQS library (default is unset)
#
#with_triqs_incs="-I/usr/local/triqs/include -I/usr/local/cthyb/src/c++/"
# Link flags for the TRIQS library (default is unset)
#
#with_triqs_libs="-L/usr/local/triqs/lib -ltriqs -lcthyb_c"
# ---------------------------------------------------------------------------- #
# Fallbacks #
# ---------------------------------------------------------------------------- #
#
# Fallbacks are external packages built within Abinit, in order to
# facilitate the development and testing of advanced features. They
# should in principle not be used in production, but replaced by the
# corresponding connector instead (see above sections).
#
# IMPORTANT NOTE: the source tarballs of fallbacks are downloaded from
# internet into ~/.abinit/tarballs/.
#
# Enable fallbacks (default is yes)
#
# Maintainers may use the following to force the build of fallbacks:
#
# * force: will skip connector tests when fallbacks are available.
#
# Note: if you disable fallbacks, failing connectors will cause
# configure to abort.
#
#enable_fallbacks="no"
# ---------------------------------------------------------------------------- #
# Developer options #
# ---------------------------------------------------------------------------- #
# Note: all the following options are disabled by default
# (i.e. they have the complementary values to those displayed)
# Enable BSE unpacking (gmatteo)
#
#enable_bse_unpacked="yes"
# Enable exports (pouillon)
#
#enable_exports="yes"
# Enable double precision for GW calculations (gmatteo)
#
#enable_gw_dpc="yes"
# Enable memory profiling (waroquiers)
#
#enable_memory_profiling="yes"
# Enable lotf (mancini)
#
#enable_lotf="yes"
# Enable OpenMP (gmatteo, torrent)
#
enable_openmp="yes"
# Enable ZDOTC and ZDOTU bugfix (gmatteo)
#
#enable_zdot_bugfix="yes"
# ---------------------------------------------------------------------------- #
# Maintainer options #
# ---------------------------------------------------------------------------- #
# Run test suite on 4 processors (default is no)
#
#enable_fast_check="yes"
# Activate maintainer checks (default is no)
#
#enable_maintainer_checks="yes"
# Fortran compiler vendor to be used by the build system (default is unset)
#
# Note: do not use if you don't know what it is about
#
#with_fc_vendor="dummy"
# Fortran compiler version to be used by the build system (default is unset)
#
# Note: do not use if you don't know what it is about
#
#with_fc_version="0.0"
# ---------------------------------------------------------------------------- #
# Documentation options #
# ---------------------------------------------------------------------------- #
# Markdown flags
#
#MDFLAGS=""
# LaTeX flags
#
#LTXFLAGS=""
# DviPDF flags
#
#PDFFLAGS=""
Code: Select all
/usr/bin/mpif90 -DHAVE_LIBXC -DHAVE_LIBPAW_BIGDFT -DHAVE_MPI -DHAVE_MPI1 -I. -I../.. -I/usr/include -I/home/ainiputra/Public/abinit-8.10.3/magma-mkl/fallbacks/exports/include -I./abi_geomoptim -I../../includes -ffree-form -g -ffree-line-length-none -fopenmp -g -O2 -I/usr/include -c -o abi_wrtout.o `test -f 'abi_lowlevel/abi_wrtout.F90' || echo './'`abi_lowlevel/abi_wrtout.F90
libpaw/m_libpaw_mpi.F90:3349:12:
tag=MOD(nt,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:3282:12:
tag=MOD(nt,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:3215:14:
tag = MOD(n1,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:3148:14:
tag = MOD(n1,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:3082:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:3023:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2964:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2904:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2846:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2788:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2730:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2669:18:
my_tag=MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2607:18:
my_tag=MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2544:18:
my_tag=MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2483:18:
my_tag=MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2422:18:
my_tag=MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2361:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
libpaw/m_libpaw_mpi.F90:2300:20:
my_tag = MOD(tag,MPI_TAG_UB)
1
Error: Argument ‘P’ of MOD at (1) shall not be zero
Makefile:1715: recipe for target 'm_libpaw_mpi.o' failed
make[5]: *** [m_libpaw_mpi.o] Error 1
make[5]: *** Waiting for unfinished jobs....
make[5]: Leaving directory '/home/ainiputra/Public/abinit-8.10.3/magma-mkl/fallbacks/sources/bigdft-1.7.1.25/libABINIT/src'
Makefile:537: recipe for target 'all-recursive' failed
make[4]: *** [all-recursive] Error 1
make[4]: Leaving directory '/home/ainiputra/Public/abinit-8.10.3/magma-mkl/fallbacks/sources/bigdft-1.7.1.25'
Makefile:453: recipe for target 'all' failed
make[3]: *** [all] Error 2
make[3]: Leaving directory '/home/ainiputra/Public/abinit-8.10.3/magma-mkl/fallbacks/sources/bigdft-1.7.1.25'
Makefile:1154: recipe for target 'stamps/bigdft-build-stamp' failed
make[2]: *** [stamps/bigdft-build-stamp] Error 2
make[2]: Leaving directory '/home/ainiputra/Public/abinit-8.10.3/magma-mkl/fallbacks'
Makefile:753: recipe for target 'all-local' failed
make[1]: [all-local] Error 2 (ignored)
Checking build of bigdft fallback
test -e stamps/bigdft-install-stamp
Makefile:753: recipe for target 'all-local' failed
make[1]: *** [all-local] Error 1
make[1]: Leaving directory '/home/ainiputra/Public/abinit-8.10.3/magma-mkl/fallbacks'
Makefile:2817: recipe for target 'multi' failed
make: *** [multi] Error 2