spack didnt install a package even though it was part of the environment.
Libxc was in the list of packages to install but spack (or our setups script ) skipped installing it!
This toolchain was installed via mpsd-software install 23b foss2022a-mpi
karnada@mpsd-hpc-login1:/opt_mpsd/linux-debian11/23b/sandybridge/spack$ spack find libxc
==> No package matches the query: libxc
karnada@mpsd-hpc-login1:/opt_mpsd/linux-debian11/23b/sandybridge/spack/var/spack/environments/foss2022a-mpi$ cat spack.yaml
spack:
definitions:
- compilers:
- gcc@11.3.0
- mpis:
- openmpi@4.1.4~cuda fabrics=ucx schedulers=slurm ^slurm@20-11-4-1+pmix^ucx@1.13.1+cma~cuda+dc+dm~gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs+vfs~xpmem
- packages:
- binutils@2.38+headers+ld
- netlib-scalapack@2.1.0
- fftw@3.3.10+openmp+mpi+pfft_patches
- openblas@0.3.20
- autoconf@2.71 # autotools 20210128 not in spack; manually
- libtool@2.4.7
- automake@1.16.5
- libxc@5.2.3 # octopus-dependencies:
- gsl@2.7.1
- sparskit@develop # 2021.06.01
- elpa@2021.11.001 # elpa@2020.05.001
- nlopt@2.7.0
- libgd@2.2.4 # 2.3.1
- libvdwxc@0.4.0+mpi+pfft
- nfft@3.2.4
- berkeleygw@2.1+mpi
- python@3.9.5
- parmetis@4.0.3+int64
- pfft@1.0.8-alpha
- pnfft@1.0.7-alpha
- cgal@5.0.3 # 5.2
- hdf5@1.12.2+mpi
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
# - bigdft-futile@1.8.3+mpi
# - bigdft-psolver@1.8.3+mpi
# - dftbplus@19.1+mpi # 21.1+serial
specs:
- matrix:
- [$mpis]
- [$%compilers]
- matrix:
- [$packages]
- [$^mpis]
- [$%compilers]
view: true
concretizer:
reuse: false
unify: true
########### Use debian slurm
packages:
slurm:
buildable: false
externals:
- spec: slurm@20-11-4-1+pmix
prefix: /usr
karnada@mpsd-hpc-login1:~$ mpsd-modules 23b
karnada@mpsd-hpc-login1:~$ module load toolchains
toolchains toolchains/foss2022a-mpi
karnada@mpsd-hpc-login1:~$ module load toolchains/foss2022a-mpi
karnada@mpsd-hpc-login1:~$ module avail
----------------------------------------------------------------- /opt_mpsd/linux-debian11/23b/sandybridge/lmod/openmpi/4.1.4-yepua4k/gcc/11.3.0 ------------------------------------------------------------------
berkeleygw/2.1 (L) fftw/3.3.10 (L) libvdwxc/0.4.0 (L) nfft/3.2.4 (L) pfft/1.0.8-alpha (L) py-h5py/3.8.0 (L)
elpa/2021.11.001 (L) hdf5/1.12.2 (L) netlib-scalapack/2.1.0 (L) parmetis/4.0.3 (L) pnfft/1.0.7-alpha (L) py-mpi4py/3.1.4 (L)
---------------------------------------------------------------------------- /opt_mpsd/linux-debian11/23b/sandybridge/lmod/gcc/11.3.0 -----------------------------------------------------------------------------
autoconf/2.71 (D) gdbm/1.23 (L,D) libfuse/3.11.0 (L) metis/5.1.0 (L) pmix/4.2.3 (L) re2c/2.2
automake/1.16.5 (D) gettext/0.21.1 (L,D) libiconv/1.17 (L,D) ncurses/6.4 (L,D) py-cython/0.29.33 readline/8.2 (L,D)
berkeley-db/18.1.40 (D) gmake/4.4.1 (D) libmd/1.0.4 (L) ninja/1.11.1 py-docutils/0.19 slurm/20-11-4-1 (L)
bison/3.8.2 gsl/2.7.1 (L) libnl/3.3.0 (L) numactl/2.0.14 (L) py-numpy/1.24.3 (L) sqlite/3.40.1 (L)
bzip2/1.0.8 (L,D) hwloc/2.9.1 (L) libpciaccess/0.17 (L) openblas/0.3.20 (L) py-pip/23.0 tar/1.34 (L,D)
ca-certificates-mozilla/2023-01-10 knem/1.1.4 (L) libsigsegv/2.14 (D) openmpi/4.1.4 (L) py-pkgconfig/1.5.5 ucx/1.13.1 (L)
cmake/3.26.3 krb5/1.20.1 (L) libtool/2.4.7 (D) openssh/9.3p1 (L) py-poetry-core/1.2.0 util-linux-uuid/2.38.1 (L)
diffutils/3.9 (D) libbsd/0.11.7 (L) libxcrypt/4.4.33 (L) openssl/1.1.1t (L) py-setuptools/63.4.3 (L) util-macros/1.19.3
expat/2.5.0 (L) libedit/3.1-20210216 (L) libxml2/2.10.3 (L,D) perl/5.36.0 (D) py-wheel/0.37.1 xz/5.4.1 (L,D)
findutils/4.9.0 libevent/2.1.12 (L) m4/1.4.19 (D) pigz/2.7 (L,D) python/3.9.5 (L) zlib/1.2.13 (L,D)
flex/2.6.3 libffi/3.4.4 (L) meson/1.1.0 pkgconf/1.9.5 (L,D) rdma-core/41.0 (L) zstd/1.5.5 (L,D)
------------------------------------------------------------------------------- /opt_mpsd/linux-debian11/23b/sandybridge/lmod/Core --------------------------------------------------------------------------------
autoconf-archive/2023.02.20 bzip2/1.0.8 gdbm/1.23 libiconv/1.17 m4/1.4.19 perl/5.36.0 tar/1.34 zlib/1.2.13
autoconf/2.69 diffutils/3.9 gettext/0.21.1 libsigsegv/2.14 mpc/1.3.1 (L) pigz/2.7 texinfo/7.0.3 zstd/1.5.5
automake/1.16.5 gawk/5.2.1 gmake/4.4.1 libtool/2.4.7 mpfr/4.2.0 (L) pkgconf/1.9.5 toolchains/foss2022a-mpi (L)
berkeley-db/18.1.40 gcc/11.3.0 (L) gmp/6.2.1 (L) libxml2/2.10.3 ncurses/6.4 readline/8.2 xz/5.4.1
---------------------------------------------------------------------------------------- /usr/share/lmod/lmod/modulefiles -----------------------------------------------------------------------------------------
Core/lmod Core/settarg (D)
Edited by Ashwin Kumar Karnad