siesta-4.1-b2 MPI spin-orbit crashes with Error in Cholesky factorisation in cdiag

Hi!

I'm using siesta-4.1-b2 MPI compiled in a cluster.
spin-orbit calculations with more than one core stops the program in
 Begin CG opt. move = 0 after start the scfi iterations
with the error:

Error in Cholesky factorisation in cdiag
Error in Cholesky factorisation in cdiag
Stopping Program from Node: 3
Error in Cholesky factorisation in cdiag
Stopping Program from Node: 2
Error in Cholesky factorisation in cdiag
Stopping Program from Node: 0
Stopping Program from Node: 1
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 2 in communicator MPI COMMUNICATOR 3 CREATE FROM 0
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------

It runs with Diag.ParallelOverK .true. (If is set to F, all our siesta version crashes in MPI)

The program run corecctly with no spin polarization or one core run.

Any ideas?

thanks

Aurelio.

I include the fdf:

# WSe2 a = 3.341 coord vect scaled
systemName siesta
SystemLabel siesta
NumberOfAtoms 3
NumberOfSpecies 2
%block ChemicalSpeciesLabel
1 74 W
2 34 Se
%endblock ChemicalSpeciesLabel
PAO.BasisType split
PAO.BasisSize DZP
#W (74) 4.052, 3.517(6s); 6.510, 4.342(5d); 5.459(6p)
%block PAO.Basis
W 3
n=6 0 2
    4.052 3.517
    1.000 1.000
n=6 1 1
    5.459
    1.000
n=5 2 2
    6.510 4.342
    1.000 1.000
#Se (34) 7.554, 4.189(4s); 5.810, 4.309(4p); 3.708(3d)
Se 3
n=4 0 2
    7.554 4.189
    1.000 1.000
n=4 1 2
    5.810 4.309
    1.000 1.000
n=3 2 1
    3.708
    1.000
%endblock PAO.Basis
LatticeConstant 3.341 Ang
%block LatticeVectors
 1.773 -3.072 0.000
 1.773 3.072 0.000
 0.000 0.000 30.807
%endblock LatticeVectors
AtomicCoordinatesFormat ScaledByLatticeVectors
%block AtomicCoordinatesAndAtomicSpecies
 0.000 0.000 0.000 1 W
 0.667 -0.333 -0.057 2 Se
 0.667 -0.333 0.057 2 Se
%endblock AtomicCoordinatesAndAtomicSpecies
MeshCutoff 400.0 Ry
kgrid_cutoff 80.0 Bohr
MaxSCFIterations 300
DM.MixingWeight 0.2
DM.NumberPulay 5
DM.Tolerance 1.d-6
DM.UseSaveDM .true.
ElectronicTemperature 25 meV
SolutionMethod Diagon
Diag.DivideAndConquer .false.
Diag.NoExpert .true.
XC.functional GGA
XC.authors PBE
Spin spin-orbit
Diag.ParallelOverK .true.
MD.TypeOfRun cg
MD.VariableCell .false.
MD.NumCGsteps 500
MD.MaxForceTol 0.01 eV/Ang
writeCoorXmol .true.
writeDenchar .true.
WriteEigenvalues .true.
WriteKbands .false.
WriteBands .false.
WriteWaveFunctions .false.
WriteMullikenPop 1