Fail to run on MacOS catalina

Running Abinit Ground state
1

Dear all,

Could someone please help me to figure out the issue with running abinit on macos catalina?
I have installed it following the instruction on webpage:
“brew tap abinit/tap”
“brew install abinit”

It shows me that abinit is installed successfully. However, when I am running the code, it throws me the following error.

.Version 9.8.2 of ABINIT
.(MPI version, prepared for a x86_64_darwin19.6.0_gnu12.2 computer)

.Copyright (C) 1998-2022 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read Acknowledgments - abinit for suggested
acknowledgments of the ABINIT effort.
For more information, see https://www.abinit.org .

.Starting date : Wed 15 Mar 2023.

  • ( at 21h39 )

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

=== Build Information ===
Version : 9.8.2
Build target : x86_64_darwin19.6.0_gnu12.2
Build date : 20230201

=== Compiler Suite ===
C compiler : llvm12.0
C++ compiler : llvm12.0
Fortran compiler : gnu12.2
CFLAGS : -g -O2
CXXFLAGS : -g -O2 -mtune=native -mcpu=native
FCFLAGS : -g -ffree-line-length-none -fallow-argument-mismatch -Wno-missing-i …
FC_LDFLAGS :

=== Optimizations ===
Debug level : basic
Optimization level : standard
Architecture : unknown_unknown

=== Multicore ===
Parallel build : yes
Parallel I/O :
openMP support : yes
GPU support :

=== Connectors / Fallbacks ===
LINALG flavor : netlib
FFT flavor : fftw3
HDF5 : yes
NetCDF : yes
NetCDF Fortran : yes
LibXC : yes
Wannier90 : yes

=== Experimental features ===
Exports :
GW double-precision :

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Default optimizations:
-O2 -mtune=native -march=native

Optimizations for 43_ptgroups:
-O0

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
CPP options activated during the build:

Program received signal SIGILL: Illegal instruction.

Backtrace for this error:

Could not print backtrace: executable file is not an executable
#0 0x10cf1d8be
#1 0x10cf1ca9d
#2 0x7fff688765fc
#3 0x102ab9aa6
#4 0x10157c303
#5 0x101585619
Illegal instruction: 4

Thanks for the help in advanced.
-R

2

Until you get a more pertinent answer to your question, I would suggest to give it a shot at compiling yourself the latest release of ABINIT following the instructions below:

// inside abinit directory issue //

mkdir build
cd build

// save the following instructions in a generic ‘configuration_filename’ under your build directory in ABINIT//
#----------------------------------------------------------------------------------------------------------------------
CFLAGS=“-O2 -g”
CXXFLAGS=“-O2 -g”
FCFLAGS=“-O2 -g -ffree-line-length-none -fallow-argument-mismatch -Wall -fcheck=all -ffpe-summary=invalid,zero,overflow”

with_mpi=“/usr/local”
enable_mpi_io=“yes”

export OMP_NUM_THREADS=1
enable_zdot_bugfix=“yes”

#with_linalg_flavor=“yes”
LINALG_FCFLAGS=“-I/usr/local/Cellar/scalapack/2.2.0_1/include”
LINALG_LIBS=“-L/usr/local/Cellar/scalapack/2.2.0_1/lib -llapack -lblas -lscalapack”

with_fft_flavor=“fftw3”
FFTW3_LIBS=“-L/usr/local/lib -lfftw3 -lfftw3f”

#hdf5 serial
with_hdf5=“yes”
with_netcdf=“yes”
with_netcdf_fortran=“/usr/local”
with_libxc=“yes”

enable_gw_dpc=“yes”
#----------------------------------------------------------------------------------------------------------------------

// all you need to change to the lines above are the scalapack and fftw libraries installation paths
// after which issue the following command//

…/configure --with-config-file=“configuration_filename”

// if everything goes well, all there is left is to run is
make -jN //N=number of processors you want to use at one in the make process

Let us know if you encounter any difficulty.
Bogdan

3

Dear -R,

Or you can give us more information, input and pseudopotential files for instance…

Also note that catalina is no more supported by homebrew (see Installation — Homebrew Documentation).
We provide however a compiled version of Abinit for that OS but it may be unstable…

Marc