[Pw_forum] error message - problems computing cholesky decomposition

[shruba at gmail.com]

Dear all pwscf users,
               I am running a calculation for an isolated Mn(IV)-Mn(IV)
bimettalic system, using the pseudopotential for Mn (from pwscf.org website)
      Mn.pbe-sp-van.UPF
     Perdew-Burke-Ernzerhof (PBE) exch-corr
     semicore state s in valence
     semicore state p in valence
     Vanderbilt ultrasoft
all other pseudopotential is also taken from pwscf library, this system has
+4 charge the detailed input is given below,This calculation is terminating
by showing *the eroor message*

     Self-consistent Calculation

     iteration #  1     ecut=    40.00 Ry     beta=0.70
     Davidson diagonalization with overlap

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  pzpotrf  : error #       358
      problems computing cholesky decomposition
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

when I was checking the forum for similar error I saw Dr Giannozzis mail,
according to that I am providing the details, I am sorry if I have missed
any

*Details of machine* where I ran the calculation ( i also have checked the
disk spaces)

CPU -Intel Xeon
OS- Platform 4 / Redhat
MPI- mpich2-1.0.5p4
I am using 16 processors
npool=4

*INPUT*

&CONTROL
  calculation = 'scf',
  restart_mode = 'from_scratch',
  tprnfor = .TRUE.,
  prefix = '
  pseudo_dir = '
  outdir='

/

&SYSTEM
  ibrav = 1,
  celldm(1) = 32.00
  nat  =92,
  ntyp =5,
  nelec=302
  ecutwfc = 40,
  ecutrho = 360,
  nspin=2,
  multiplicity=7,
  occupations = 'smearing',
  smearing ='gaussian',
  degauss=0.03,

/
&ELECTRONS
  electron_maxstep =200,
  startingwfc ='atomic',
/

ATOMIC_SPECIES
 Mn  54.93    Mn.pbe-sp-van.UPF
 C     12.00  C.pbe-van_ak.UPF
 N     15.00  N.pbe-van_bm.UPF
 O    16.00   O.pbe-van-bm.UPF
 H     1.00   H.pbe-van_bm.UPF
ATOMIC_POSITIONS (angstrom)
............................
 N     2.569522    -0.039142     3.993887
 C     2.720000    -0.192415     5.309385
 C     1.616406    -0.338367     6.145259
 C     0.352491    -0.290342     5.628298
 Mn     3.984087     0.453313     2.673149
 O     3.623204     2.216950     2.565823
 Mn     4.611705     2.802338     3.947754
 N     5.447377     3.027934     5.827957
........................
K_POINTS {automatic}
  4 4 4 0 0 0

Sorry for this too long mail, but I prefer to give as much detail as I can.
Thanks again for your time  and help
Regards
                   Shruba Gangopadhyay

-- 
Shruba Gangopadhyay
Graduate Student
Department of Chemistry, Nanoscience Technology Center
University of Central Florida
Orlando, FL-32826
'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
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