[Octopus-users] octopus on matrix cluster

[Roberto Guerra]

Hello,

I managed to compile octopus_mpi (latest stable version) on the matrix cluster 
(Rome), but after execution it always returns the following error:

*** IO Error: Could not open file "./exec/oct-status-running" for 
action="write"

The "exec" directory contains the files "out.oct" and "oct-status-aborted". 
What's going on?

Thanks for anyone answering,
Roberto.

This is the oct.out:

# Octopus parser started
DevelVersion = 0                # default
DebugLevel = 0          # default
stdout = "-"            # default
stderr = "-"            # default
WorkDir = "."           # default
FlushMessages = 0               # default
ReportMemory = 0                # default
CalculationMode = 1
TmpDir = "restart/"             # default

This is the "inp":

### INP CLUSTER ###
CalculationMode = gs
FromScratch = yes
Units = ev_angstrom
UnitsInput = ev_angstrom
UnitsOutput = ev_angstrom
### PARAMETRI GS ###
XYZCoordinates = "Si32_OH56_in_matrice.xyz"
#MoveIons = vel_verlet
BoxShape = minimum
Radius = 6.0
Spacing = 0.18
%Species
'Si' | 28.0855 | spec_ps_upf | 14 | 0 | 0
'O'   | 15.9994 | spec_ps_upf |  8 | 0 | 0
'H'  | 1.0079  | spec_ps_upf |  1 | 0 | 0
%

PoissonSolver = isf
ParallelizationStrategy = par_domains
XCFunctional = hyb_gga_xc_b3lyp
MaximumIter = 200
LCAOStart = lcao_states
#SpinComponents = spin_polarized
Mixing = 0.1
#DevelVersion = yes
Eigensolver = cg_new
EigensolverMaxIter = 200
### PARAMETRI TD ###
TDExponentialMethod = taylor
TDEvolutionMethod = etrs
TDTimeStep = 0.002
TDMaximumIter = 9000
TDDeltaStrength = 0.01
#AbsorbingBoundaries = mask
TDDeltaStrengthMode = kick_density
TDPolarizationDirection = 1
### OUTPUT ###
Output = geometry + density + pol_density + ksdipole + dos
OutputBandsGnuplotMode = 1
OutputHow = 1024
OutputEvery = 100
DOSGamma = 0.1
DOSEnergyMin = 0.0
DOSEnergyMax = 20.0
DOSEnergyPoints = 1000
TDOutput = multipoles + geometry + energy

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