[Octopus-users] td run: Only 384 files out of 64 could be read.
Emily
listemily at eml.cc
Wed Sep 15 17:12:28 WEST 2010
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
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