%YAML 1.2
---

siesta:
  version: "master-post-4.1-268"
  arch: "x86_64_MPI"
  compiler: "GNU Fortran (GCC) 8.3.0"
  fflags: "mpif90 -O2 -fPIC -ftree-vectorize -march=native"
  fppflags: "-DFC_HAVE_ABORT -DMPI -DSIESTA__FLOOK -DCDF -DNCDF -DNCDF_4"
  libs: "libfdict.a libncdf.a libfdict.a  -lflookall -ldl -lnetcdff -lnetcdf -lhdf5_hhl -lhdf5 -lz -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl"
  build: "mpi"
  openmp: "no"
  gemm3m: "no"
  netcdf: "yes"
  netcdf4: "yes"
  netcdf4_mpi: "no"
  metis: "no"
  chess: "no"
  elpa: "no"
  flook: "yes"
  pexsi: "no"

energies:
  Ebs:          -0.28235793E+02
  Eions:           0.21377222E+03
  Ena:           0.16680972E+02
  Ekin:           0.18204901E+03
  Enl:          -0.10039819E+03
  Eso:          -0.16945358E-01
  Edftu:           0.00000000E+00
  DEna:          -0.23487505E+01
  DUscf:           0.40057219E+00
  DUext:           0.00000000E+00
  Exc:          -0.94839892E+02
  Ecorrec:           0.00000000E+00
  Emadel:           0.00000000E+00
  Emeta:           0.00000000E+00
  Emolmec:           0.00000000E+00
  Ekinion:           0.00000000E+00
  Eharris:          -0.21224544E+03
  Etot:          -0.21224545E+03
  FreeEng:          -0.21224545E+03

...