Open iamashwin99 opened 1 year ago
Here is the stdout of octopus from spack :
Version : 12.1 Commit : Build time : Mon Feb 27 21:57:54 CET 2023 Configuration options : maxdim3 openmp mpi sse2 avx libxc5 libxc_fxc Optional libraries : cgal metis netcdf parmetis pfft nlopt Architecture : x86_64 C compiler : /opt_mpsd/linux-debian11/dev-23a/sandybridge/spack/opt/spack/linux-debian11-sandybridge/gcc-11.3.0/openmpi-4.1.4-4lehnqllo3r6t45ix2wrdcew6lfwsdgw/bin/mpicc (/opt_mpsd/linux-debian11/dev-23a/sandybridge/spack/lib/spack/env/gcc/gcc) C compiler flags : -g -O2 C++ compiler : /opt_mpsd/linux-debian11/dev-23a/sandybridge/spack/lib/spack/env/gcc/g++ C++ compiler flags : -g -O2 Fortran compiler : /opt_mpsd/linux-debian11/dev-23a/sandybridge/spack/opt/spack/linux-debian11-sandybridge/gcc-11.3.0/openmpi-4.1.4-4lehnqllo3r6t45ix2wrdcew6lfwsdgw/bin/mpif90 (/opt_mpsd/linux-debian11/dev-23a/sandybridge/spack/lib/spack/env/gcc/gfor Fortran compiler flags : -O2 -ffree-line-length-none -fallow-argument-mismatch -fallow-invalid-boz -fopenmp
when installed with the spec:
octopus@12.1%gcc@11.3.0+mpi+netcdf+parmetis+arpack+cgal+pfft+python+likwid+libyaml+elpa+nlopt \ ^parmetis@4.0.3 \ ^cgal@5.0.3 \ ^pfft@1.0.8-alpha \ ^elpa@2021.11.001 \ ^nlopt@2.7.0 \ ^openmpi@4.1.4~cuda fabrics=ucx schedulers=slurm \ ^ucx@1.13.1+cma~cuda+dc+dm~gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs+vfs~xpmem \ ^netlib-scalapack@2.1.0 \ ^fftw@3.3.10+openmp \ ^hdf5@1.12.2+fortran
Need to check that cgal picked up is from within spack and not from debian ( as was the case with Hennings experiment )
Here is the stdout of octopus from spack :
when installed with the spec: