Sandia National Laboratories Tramonto
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Debugging output

A variety of files may be printed by Tramonto in VERBOSE mode. Here is a quick reference for what can be found in those files.

  • dft_time.out: timing and parallel performance results for the run.
  • cr.out: For CMS polymers, this file prints back out the direct correlation function, as given by the Cr_file specified in dft_input.dat.
  • cr.lj.out: For CMS polymers, this file contains the direct correlation function after the LJ attractions have been added to it.
  • dens_iter.dat: Stores the solution vector as a function of position for each Newton iteration.
  • dft_freen_prof.dat: For cases where Ndim=1, this file contains the free energy density as a function of position. This is related to the surface tension profile of an interface with planar symmetry.
  • dft_vext.dat: This file contains the neutral part of the external field acting on each species as a function of position on the mesh.
  • dft_vext_c.dat: This file contains the Coulombic part of the external field acting on each species as a function of position on the mesh.
  • dft_zeroTF.dat: This file contains an array of 0s and 1s (FALSE and TRUE respectively) as a function of position on the mesh. When this array is TRUE, a given node is assumed to be inside a surface, and the Euler-Lagrange equations of the density functional theory are replaced with the simple condition density=0.
  • dft_zones.dat: This file contains the zone assignment of every node on the mesh (for mesh or Jacobian coarsenening purposes).
  • proc_mesh.dat: This file contains data on the node to processor map obtained by the load balancing process.
  • Resid2.dat: currently disabled (v2.1).
  • rho_init.dat (and rho_init.datg): echos initial guess for a given run (contains same parameters as would be found in dft_dens.dat and dft_dens.datg)
  • stencil.out: This file contains the integration stencils used for residual and jacobian calculations. The columns are an index, then the Ndim offsets, then the weight.