[Pw_forum] error in pwcond.x calculations

[ErJun Kan]

Dear all,

I want to calculate  transport of one magnetic systems with QE 4.04 version. But
pwcond.x always gives error messages in the calculations, and  and I can't
recognize any mistakes in my input. The input items are:

!For calculations of tranport
 &inputcond
    outdir='./',
    prefixl='al',
    prefixs = 'gan'
    tran_file='trans.gan1',
    ikind=1,
    iofspin = 2
    energy0=2.95d0,
    denergy=-0.1d0,
    ewind=3.d0,
    epsproj=1.d-6,
    nz1 =5 
 /
    1
    0.0  0.0  1.0
   40 

!SCF calculations:
# self-consistent calculation for gan
 &control
    calculation='scf'
    restart_mode='from_scratch',
    pseudo_dir = './',
    outdir='./'
    prefix='gan'
 /
 &system
    ibrav = 0,
    nat= 96,
    ntyp= 3,
    ecutwfc = 20.0,
    nspin = 2
    starting_magnetization(1)=0.7
    occupations='smearing',
    smearing='gaussian',
    degauss=0.01
 /
 &electrons
     diagonalization='$diago'
     mixing_mode = 'plain'
     electron_maxstep = 200
    conv_thr = 1.0e-8
    mixing_beta = 0.7
 /
ATOMIC_SPECIES
 Mn 54.938 Mn.pbe-sp-van.UPF 
 Ga 69.72  Ga.pbe-nsp-van.UPF
 N  14.00   N.pbe-van_ak.UPF 
ATOMIC_POSITIONS {crystal}
Ga -0.0001657758759119  0.4818194083996286  0.0182938409064565 
Ga  0.1667274772312116  0.0195694130995621  0.9990694956596797 
Ga  0.5000164056660824  0.0275423908315948  0.9983838280839206 
Ga  0.8332760609810573  0.0195102813279311  0.9990674813820080 
Ga  0.3343449833004964  0.4871849918764722  0.0164388913198390 
Ga  0.6658508541371895  0.4872145844903105  0.0164924601108568 
Ga -0.0002943530538455  0.9969585128911231  0.0739962112659120 
Ga  0.3333532449819225  0.0007723748545170  0.0729112240197635 
Ga  0.6669243039679955  0.0006897210790763  0.0729287345988502 
Ga  0.1684085461182105  0.4951198331347210  0.0992729841981305 
Ga  0.5000669979934426  0.4977723574841029  0.0992272818270406 
Ga  0.8318449912608433  0.4936237423118682  0.1004135848917636 
Ga  0.1672070782004766  0.9927820601371106  0.1538426320734469 
Ga  0.4995602878201254  0.9979632509617761  0.1528810399759821 
Ga  0.8332084532887823  0.9972896887596313  0.1539174144427966 
Ga  0.6651617852986196  0.4993749825682515  0.1813823613900334 
Ga  0.0000000000000000  0.0000000000000000  0.2347412425949784 
Ga  0.3333333333333357  0.0000000000000000  0.2347412425949784 
Ga  0.6666666666666643  0.0000000000000000  0.2347412425949784 
Ga  0.1666666666666643  0.5000000000000000  0.2608236028833062 
Ga  0.5000000000000000  0.5000000000000000  0.2608236028833062 
Ga  0.8333333333333357  0.5000000000000000  0.2608236028833062 
Ga  0.1666666666666643  0.0000000000000000  0.3129883234599689 
Ga  0.5000000000000000  0.0000000000000000  0.3129883234599689 
Ga  0.8333333333333357  0.0000000000000000  0.3129883234599689 
Ga  0.0000000000000000  0.5000000000000000  0.3390706837482966 
Ga  0.3333333333333357  0.5000000000000000  0.3390706837482966 
............
K_POINTS (automatic)
 4 7 1 0 0 0
CELL_PARAMETERS { cubic}
18.034   0.0000  0.0000
0.0000   9.7980  0.0000
0.0000   0.0000  66.535


 &control
    calculation='scf'
    restart_mode='from_scratch',
    pseudo_dir = './',
    outdir='./',
    prefix='al'
    tprnfor = .true.
    tstress = .true.
 /
 &system
   ibrav = 6,
    celldm(1) =20.0,
    celldm(3) =0.225,
    nat= 1,
    ntyp= 1,
    nspin = 1,
    ecutwfc = 25.0,
    ecutrho = 150.0
    occupations='smearing',
    smearing='methfessel-paxton',
    degauss=0.01
/
 &electrons
    diagonalization='$diago'
     mixing_mode = 'plain'
     electron_maxstep = 200
    conv_thr = 1.0e-8
   mixing_beta = 0.7 
 /
ATOMIC_SPECIES
 Al  26.98 Al.pbe-rrkj.UPF 
ATOMIC_POSITIONS
 Al 0.00 0.00 0.00
K_POINTS (automatic)
1 1  24 1 1 1



And the end of output of pwcond.x calculations:

        k(    1) = (   0.0000000   0.0000000), wk =   1.0000000

 ngper, shell number =           355          100
 ngper, n2d =           355          355
Application 1942431 exit codes: 139
Application 1942431 exit signals: Killed
Application 1942431 resources: utime 0, stime 0