[Octopus-users] error during td calculation

Abraham Alaka aoa101@ohm.york.ac.uk
Thu, 02 Sep 2004 12:00:16 +0100


Hi all, has anyone come across this error message before?

  Type = parallelepiped
  Lengths [A] = ( 6.500, 2.000, 4.000)
  Spacing [A] = ( 0.813, 0.667, 0.800)    volume/point [A^3] =  0.43333
  # inner mesh =   1309
  Grid Cutoff [eV] =    56.961
Info: Derivatives calculated in real-space
Info: Vlocal Cutoff = sphere
Info: FFT allocated with size (  35,  15,  21) in slot  1
Info: Vlocal Cutoff Radius [A] =    14.218750
Info: Vlocal Cutoff Radius [A] =    14.218750
Info: Using FFTs with spherical cutoff to solve Poisson equation .
Info: FFT allocated with size (  35,  35,  35) in slot  2
Info: Poisson Cutoff Radius [A] =    14.218750
Info: Exchange and correlation
      Exchange    : LDA  - non-relat.
      Correlation : LDA  - PZ81
Info: Setting up TD.
Info: Evolution method:  Enforced Time-Reversal Symmetry
Info: Exponential method: 4th order expansion.
Info: Initializing zpsi.

**********************************************************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* No luns available in io_assign
*--------------------------------------------------------------------