Thanks for your reply.
Unfortunately I don’t really know how to customize the config-file, as there is no usual ‘.ac9’ file in SPACK.
When I ‘spack info abinit’ there is no such variant as zdot-bugfix to ‘spack install abinit@8.10.3 +zdot-bugfix’ or something like this.
As you told me there’s a problem with the mkl-library, I tried to build ABINIT with the OpenBLAS-library instead - and it works!
spack install abinit@8.10.3 ^openblas
spack find -vd abinit
==> 1 installed package
-- linux-rocky8-icelake / gcc@8.5.0 -----------------------------
abinit@8.10.3~install-tests~libxml2+mpi~openmp~scalapack~wannier90 optimization-flavor=standard patches=2d6f332
atompaw@4.2.0.0 patches=152deb6
libxc@2.2.2~cuda+shared
perl@5.34.1+cpanm+shared+threads
berkeley-db@18.1.40+cxx~docs+stl patches=b231fcc
bzip2@1.0.8~debug~pic+shared
diffutils@3.8
libiconv@1.16 libs=shared,static
gdbm@1.19
readline@8.1
ncurses@6.2~symlinks+termlib abi=none
pkgconf@1.8.0
zlib@1.2.12+optimize+pic+shared patches=0d38234
openblas@0.3.20~bignuma~consistent_fpcsr~ilp64+locking+pic+shared symbol_suffix=none threads=none
fftw@3.3.10+mpi~openmp~pfft_patches precision=double,float
intel-oneapi-mpi@2021.6.0~external-libfabric~ilp64
hdf5@1.12.2~cxx~fortran+hl~ipo~java+mpi+shared~szip~threadsafe+tools api=default build_type=RelWithDebInfo
cmake@3.23.1~doc+ncurses~ownlibs~qt build_type=Release
curl@7.83.0~gssapi~ldap~libidn2~librtmp~libssh~libssh2~nghttp2 libs=shared,static tls=gnutls
gnutls@3.6.15~guile+zlib
gettext@0.21+bzip2+curses+git~libunistring+libxml2+tar+xz
libxml2@2.9.13~python
xz@5.2.5~pic libs=shared,static
tar@1.34 zip=pigz
pigz@2.7
zstd@1.5.2+programs compression=none libs=shared,static
libidn2@2.3.0
libunistring@0.9.10
nettle@3.4.1
gmp@6.2.1 libs=shared,static
autoconf@2.69 patches=35c4492,7793209,a49dd5b
m4@1.4.19+sigsegv patches=9dc5fbd,bfdffa7
libsigsegv@2.13
automake@1.16.5
libtool@2.4.7
expat@2.4.8+libbsd
libbsd@0.11.5
libmd@1.0.4
libarchive@3.5.2+iconv compression=bz2lib,lz4,lzma,lzo2,zlib,zstd crypto=mbedtls libs=shared,static programs=none xar=expat
lz4@1.9.3 libs=shared,static
lzo@2.10 libs=shared,static
mbedtls@2.28.0+pic build_type=Release libs=static
libuv@1.44.1
rhash@1.4.2 patches=093518c,3fbfe46
netcdf-c@4.8.1~dap~fsync~hdf4~jna+mpi~parallel-netcdf+pic+shared patches=de556da
netcdf-fortran@4.5.4~doc+pic+shared
Thank you very much! I am going to do some tests now and probably come back to you.
Further information:
spack info abinit
AutotoolsPackage: abinit
Description:
ABINIT is a package whose main program allows one to find the total
energy, charge density and electronic structure of systems made of
electrons and nuclei (molecules and periodic solids) within Density
Functional Theory (DFT), using pseudopotentials and a planewave or
wavelet basis. ABINIT also includes options to optimize the geometry
according to the DFT forces and stresses, or to perform molecular
dynamics simulations using these forces, or to generate dynamical
matrices, Born effective charges, and dielectric tensors, based on
Density-Functional Perturbation Theory, and many more properties.
Excited states can be computed within the Many-Body Perturbation Theory
(the GW approximation and the Bethe-Salpeter equation), and Time-
Dependent Density Functional Theory (for molecules). In addition to the
main ABINIT code, different utility programs are provided.
Homepage: https://www.abinit.org/
Preferred version:
9.6.1 https://www.abinit.org/sites/default/files/packages/abinit-9.6.1.tar.gz
Safe versions:
9.6.1 https://www.abinit.org/sites/default/files/packages/abinit-9.6.1.tar.gz
9.4.2 https://www.abinit.org/sites/default/files/packages/abinit-9.4.2.tar.gz
8.10.3 https://www.abinit.org/sites/default/files/packages/abinit-8.10.3.tar.gz
8.10.2 https://www.abinit.org/sites/default/files/packages/abinit-8.10.2.tar.gz
8.8.2 https://www.abinit.org/sites/default/files/packages/abinit-8.8.2.tar.gz
8.6.3 https://www.abinit.org/sites/default/files/packages/abinit-8.6.3.tar.gz
8.2.2 https://www.abinit.org/sites/default/files/packages/abinit-8.2.2.tar.gz
8.0.8b https://www.abinit.org/sites/default/files/packages/abinit-8.0.8b.tar.gz
Deprecated versions:
None
Variants:
Name [Default] When Allowed values Description
============================== ==== ==================== ==========================================
install-tests [off] -- on, off Install test cases
libxml2 [off] -- on, off Enable libxml2 support, used by multibinit
mpi [on] -- on, off Builds with MPI support. Requires MPI2+
openmp [off] -- on, off Enables OpenMP threads. Use threaded FFTW3
optimization-flavor [standard] -- safe, standard, Select the optimization flavor to use.
aggressive
scalapack [off] -- on, off Enables scalapack support. Requires MPI
wannier90 [off] -- on, off Enables the Wannier90 library
Build Dependencies:
atompaw blas fftw-api gnuconfig hdf5 lapack libxc libxml2 mpi netcdf-c netcdf-fortran scalapack wannier90
Link Dependencies:
atompaw blas fftw-api hdf5 lapack libxc libxml2 mpi netcdf-c netcdf-fortran scalapack wannier90
Run Dependencies:
None