[Octopus-users] td run: Only 384 files out of 64 could be read.

[Emily]

I just discovered that this problem goes away if I remove td_occup from
the line 
TDOutput = laser + energy + multipoles + td_occup
in the input file.

There is very little documentation of this feature...what I know about
it is:
td_occup (256): If set, outputs the projections of the time-dependent
Kohn-Sham wave-functions onto the static (zero time) wave-functions to
the file td.general/projections.XXX. 

Can anybody hint what I am doing wrong?

(I am trying to do something similar to Quijada, Muino, Borisov, Alonso
& Echenique, New Journal of Physics 12 (2010) 053023, in which they
project the time dependent KS states onto the ground state.)

Thanks,
Emily

----- Original message -----
From: "Emily" <listemily at eml.cc>
To: "octopus users group" <octopus-users at tddft.org>
Date: Wed, 15 Sep 2010 12:12:28 -0400
Subject: td run: Only  384 files out of   64 could be read.

Can anybody suggest to me why my time dependent run can't find my ground
state restart files?  If I run another gs run, it finds the ground state
files and converges in only 4 cycles.  When I look in restart/gs/ I see
the 64 obf files, along with a few other files.  But when I do a time
dependent run I get the complaint that "only" 384 files out of 64 could
be read.  (64*6 = 384, is this significant?)  Snips of the relevant
output and inp file below.

Thanks,
Emily

Output:

**********************************************************************

Info: Loading restart information.
Could not load any previous restart information.
**********************************************************************


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

Info: Loading restart information.
Info: Loading restart information.

******************** Loading restart information. ********************
Only  384 files out of   64 could be read.
**********************************************************************


**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* From node =    0
*--------------------------------------------------------------------
* Could not load restart/gs
**********************************************************************

*** Fatal Error (description follows)
*--------------------------------------------------------------------
* From node =    4
*--------------------------------------------------------------------
* Could not load restart/gs
*** Fatal Error (description follows)
*--------------------------------------------------------------------

___________________________________________________
parts of my inp file (leaving out parts that define the system and the
box, as I don't think they would be relevant.):

temp = 1/1000
Smearing = temp
SmearingFunction = fermi_dirac
#      CalculationMode = gs
      CalculationMode = td
Units=atomic
ExtraStates=14

### time dependent section
amplitude = .0001
omega = 158/1000

%TDFunctions
   "constant" | tdf_cw | amplitude
% 

%TDExternalFields
  electric_field | 0 | 1 | 0 | omega | "constant"
%

tmax = 1000 # 
TDEvolutionMethod = aetrs
TDTimeStep = 0.1 # 
TDMaximumIter = tmax/TDTimeStep
OutputEvery = 10
TDOutput = laser + energy + multipoles + td_occup