[Octopus-users] Must ETSF I/O lib be linked with octopus 3.2

[Xin Liu]

Hello, all,

I managed to compile octopus 3.2 with gcc and gfortran (gcc & gfortran
4.1.1) today. The serial version was ok with the tests. When I tried
to restart a calculation, just as the CH4 TD example in the tutorial.
I met the error of not able to open restart files just as bellow, This
seems to be an input/output error, which also exist with the version I
compiled with pgf90. (pgf90 v7, mpich2.) Can someone give me a hand?

Best,

Xin


..............

******************************** Grid ********************************
Simulation Box:
  Type = minimum
  Radius  [A] =   3.500
  Octopus will run in 3 dimension(s).
  Octopus will treat the system as periodic in 0 dimension(s).
Main mesh:
  Spacing [A] = ( 0.175, 0.175, 0.175)    volume/point [A^3] =  0.00536
  # inner mesh =      60205
  # total mesh =      90197
  Grid Cutoff [eV] =  1227.853
**********************************************************************


****************************** Hartree *******************************
Input: [PoissonSolver = isf]
**********************************************************************


**************************** Theory Level ****************************
Input: [TheoryLevel = dft]

Exchange-correlation:
  Exchange
    Slater exchange (LDA)
    [1] PAM Dirac, Proceedings of the Cambridge Philosophical Society
26, 376 (1930)
    [2] F Bloch, Zeitschrift fuer Physik 57, 545 (1929)
  Correlation
    Perdew & Zunger (Modified) (LDA)
    [1] Perdew and Zunger, Phys. Rev. B 23, 5048 (1981)
    [2] Modified to improve the matching between the low and high rs parts

Input: [SICCorrection = sic_none]
**********************************************************************

Input: [FilterPotentials = filter_none]
Info: Pseudopotential for C
      localized part radius =   1.1 [A]
      non-local part radius =   0.8 [A]
Info: Pseudopotential for H
      localized part radius =   1.0 [A]
      non-local part radius =   0.0 [A]
Input: [RelativisticCorrection = non_relativistic]
Input: [TDGauge = length]
Input: [AbsorbingBoundaries = not_absorbing]
Info: Generating external potential
Input: [MoveIons = static_ions]
Input: [TDDynamics = ehrenfest]
Input: [TDEvolutionMethod = aetrs]
Input: [TDExponentialMethod = taylor]
Info: Loading restart information.
Could not load any previous restart information.
**********************************************************************


** Warning:
**   Could not load restart/td: Starting from scratch

Info: Loading restart information.

******************** Loading restart information *********************
No files could be read. No restart information can be used.
**********************************************************************


**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* Could not read KS orbitals from 'restart/gs/'
* Please run a ground-state calculation first!
**********************************************************************