1%YAML 1.2
2---
3
4siesta:
5  version: "siesta-4.1--921"
6  arch: "gfortran-macosx64-openmpi"
7  compiler: "GNU Fortran (Homebrew GCC 7.2.0) 7.2.0"
8  fflags: "mpif90 -O2 -fbacktrace -g"
9  fppflags: "-DCDF -DMPI  -DMPI_TIMING -DF2003"
10  libs: "-L/usr/local/lib -lnetcdff -L/opt/scalapack/openmpi-2.1.2--gfortran-7.2.0/liib -lscalapack -lveclibfort"
11  build: "mpi"
12  openmp: "no"
13  gemm3m: "no"
14  netcdf: "yes"
15  netcdf4: "no"
16  netcdf4_mpi: "no"
17  metis: "no"
18  chess: "no"
19  elpa: "no"
20  flook: "no"
21  pexsi: "no"
22
23energies:
24  Ebs:          -0.76982627E+01
25  Eions:           0.59963727E+02
26  Ena:           0.12873605E+02
27  Ekin:           0.25782413E+02
28  Enl:          -0.45540719E+01
29  Eso:           0.00000000E+00
30  Eldau:           0.00000000E+00
31  DEna:          -0.13095670E+00
32  DUscf:           0.53468305E-01
33  DUext:           0.00000000E+00
34  Enegf:           0.00000000E+00
35  Exc:          -0.82990075E+01
36  Ecorrec:           0.00000000E+00
37  Emadel:           0.00000000E+00
38  Emeta:           0.00000000E+00
39  Emolmec:           0.00000000E+00
40  Ekinion:           0.00000000E+00
41  Eharris:          -0.34238277E+02
42  Etot:          -0.34238277E+02
43  FreeEng:          -0.34238277E+02
44
45...
46