The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi Rajdeep,

Have you compiled abinip yourself with the version of MPI you are actualy using ?
If no would you mind doing it using debug flags so that the error message is clearer ?
Moreover, if your compiler allow this it would be fine to use a "check bounds" flags wich will tell you a lot of details about what is actually happening when you get the segmentation fault.

Regards

PMA

On 5/29/07, rsaha@pas.rochester.edu < rsaha@pas.rochester.edu> wrote:

Hi ABINITioners,

I recently installed ABINIT-5.3.4 . However, when I try to use abinip for the
parallel tests suggested in the tutorial using;

mpirun -np 2 abinip < tparal_1.files >& m.log &

I get the following error;

initro : indeed, coreel=     78.0000, nval=  4 and densty=  0.0000E+00.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
libc.so.6          0000002A95CE1F20  Unknown               Unknown  Unknown
libc.so.6          0000002A95CE2367  Unknown               Unknown  Unknown
abinip             0000000000E7B1D7  Unknown               Unknown  Unknown
abinip             0000000000E7B140  Unknown               Unknown  Unknown
abinip             0000000000B85871  Unknown               Unknown  Unknown
abinip             00000000007EF858  Unknown               Unknown  Unknown
abinip             000000000042A1EE  Unknown               Unknown  Unknown
abinip             00000000004141CC  Unknown               Unknown  Unknown
abinip             000000000040B411  Unknown               Unknown  Unknown
abinip             0000000000405A7A  Unknown               Unknown  Unknown
libc.so.6          0000002A95C95E5D  Unknown               Unknown  Unknown
abinip             00000000004059AA  Unknown               Unknown  Unknown

The full log file is as follows;

  me,nproc=           0           2
  me,nproc=           1           2
  ABINIT

  Give name for formatted input file:
tparal_1.in
  Give name for formatted output file:
tparal_1.out
  Give root name for generic input files:
tparal_1i
  Give root name for generic output files:
tparal_1o
  Give root name for generic temporary files:
tparal_1
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.out
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outA
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outA
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outB
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outB
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outC
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outC
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outD
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outD
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outE
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outE
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outF
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outF
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outG
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outG
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outH
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outH
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outI
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outI
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outJ
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outJ
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outK
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outK
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outL
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outL
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outM
-P-0000
-P-0000
-P-0000  isfile : WARNING -
-P-0000   Finds that output file tparal_1.outM
-P-0000  already exists.
-P-0000  new name assigned:tparal_1.outN
-P-0000

.Version 5.3.4  of ABINIT
.(sequential version, prepared for a x86_64_linux_intel computer)

.Copyright (C) 1998-2007 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read ~abinit/doc/users/acknowledgments.html for suggested
acknowledgments of the ABINIT effort.
For more information, see http://www.abinit.org .

.Starting date : Tue 29 May 2007.

- input  file    -> tparal_1.in
- output file    -> tparal_1.outN
- root for input  files -> tparal_1i
- root for output files -> tparal_1o

instrng :    38 lines of input have been read

iofn2 : Please give name of formatted atomic psp file
iofn2 : for atom type   1 , psp file is /home/rsaha/abinit- 5.3.4/tests/Psps_for_tests/HGH/82pb.4.hgh
  read the values zionpsp=  4.0 , pspcod=   3 , lmax=   2

iofn2 : deduce mpsang  =   3, n1xccc  =   0.

invars1m : enter jdtset=     0
ingeo : takes atomic coordinates from input array xred
symspgr : the symmetry operation no.   1 is the identity
symspgr : the symmetry operation no.   2 is an inversion
symaxes : the symmetry operation no.   3 is a 2-axis
symplanes : the symmetry operation no.   4 is a mirror plane
symaxes : the symmetry operation no.   5 is a 2-axis
symplanes : the symmetry operation no.   6 is a mirror plane
symaxes : the symmetry operation no.   7 is a 2-axis
symplanes : the symmetry operation no.   8 is a mirror plane
symplanes : the symmetry operation no.   9 is a mirror plane
symaxes : the symmetry operation no.  10 is a 2-axis
symspgr : the symmetry operation no.  11 is a -4 axis
symaxes : the symmetry operation no.  12 is a 4-axis
symplanes : the symmetry operation no.  13 is a mirror plane
symaxes : the symmetry operation no.  14 is a 2-axis
symspgr : the symmetry operation no.  15 is a -4 axis
symaxes : the symmetry operation no.  16 is a 4-axis
symaxes : the symmetry operation no.  17 is a 3-axis
symspgr : the symmetry operation no.  18 is a -3 axis
symaxes : the symmetry operation no.  19 is a 3-axis
symspgr : the symmetry operation no.  20 is a -3 axis
symaxes : the symmetry operation no.  21 is a 3-axis
symspgr : the symmetry operation no.  22 is a -3 axis
symaxes : the symmetry operation no.  23 is a 3-axis
symspgr : the symmetry operation no.  24 is a -3 axis
symplanes : the symmetry operation no.  25 is a mirror plane
symaxes : the symmetry operation no.  26 is a 2-axis
symspgr : the symmetry operation no.  27 is a -4 axis
symaxes : the symmetry operation no.  28 is a 4-axis
symspgr : the symmetry operation no.  29 is a -4 axis
symaxes : the symmetry operation no.  30 is a 4-axis
symplanes : the symmetry operation no.  31 is a mirror plane
symaxes : the symmetry operation no.  32 is a 2-axis
symaxes : the symmetry operation no.  33 is a 3-axis
symspgr : the symmetry operation no.  34 is a -3 axis
symaxes : the symmetry operation no.  35 is a 3-axis
symspgr : the symmetry operation no.  36 is a -3 axis
symaxes : the symmetry operation no.  37 is a 3-axis
symspgr : the symmetry operation no.  38 is a -3 axis
symaxes : the symmetry operation no.  39 is a 3-axis
symspgr : the symmetry operation no.  40 is a -3 axis
symplanes : the symmetry operation no.  41 is a mirror plane
symaxes : the symmetry operation no.  42 is a 2-axis
symplanes : the symmetry operation no.  43 is a mirror plane
symaxes : the symmetry operation no.  44 is a 2-axis
symspgr : the symmetry operation no.  45 is a -4 axis
symaxes : the symmetry operation no.  46 is a 4-axis
symspgr : the symmetry operation no.  47 is a -4 axis
symaxes : the symmetry operation no.  48 is a 4-axis
symspgr : the symmetry operation no.  49 is a pure translation
symspgr : the symmetry operation no.  50 is an inversion
symaxes : the symmetry operation no.  51 is a 2_1-axis
symplanes : the symmetry operation no.  52 is an a,b, or c plane
symaxes : the symmetry operation no.  53 is a 2_1-axis
symplanes : the symmetry operation no.  54 is an a,b, or c plane
symaxes : the symmetry operation no.  55 is a 2-axis
symplanes : the symmetry operation no.  56 is an n plane
symplanes : the symmetry operation no.  57 is a g plane
symaxes : the symmetry operation no.  58 is a 2_1-axis
symspgr : the symmetry operation no.  59 is a -4 axis
symaxes : the symmetry operation no.  60 is a 4_2-axis
symplanes : the symmetry operation no.  61 is a g plane
symaxes : the symmetry operation no.  62 is a 2_1-axis
symspgr : the symmetry operation no.  63 is a -4 axis
symaxes : the symmetry operation no.  64 is a 4_2-axis
symaxes : the symmetry operation no.  65 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no.  66 is a -3 axis
symaxes : the symmetry operation no.  67 is a 3-axis
symspgr : the symmetry operation no.  68 is a -3 axis
symaxes : the symmetry operation no.  69 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no.  70 is a -3 axis
symaxes : the symmetry operation no.  71 is a 3-axis
symspgr : the symmetry operation no.  72 is a -3 axis
symplanes : the symmetry operation no.  73 is a g plane
symaxes : the symmetry operation no.  74 is a 2-axis
symspgr : the symmetry operation no.  75 is a -4 axis
symaxes : the symmetry operation no.  76 is a 4-axis
symspgr : the symmetry operation no.  77 is a -4 axis
symaxes : the symmetry operation no.  78 is a 4-axis
symplanes : the symmetry operation no.  79 is a mirror plane
symaxes : the symmetry operation no.  80 is a 2-axis
symaxes : the symmetry operation no.  81 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no.  82 is a -3 axis
symaxes : the symmetry operation no.  83 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no.  84 is a -3 axis
symaxes : the symmetry operation no.  85 is a 3-axis
symspgr : the symmetry operation no.  86 is a -3 axis
symaxes : the symmetry operation no.  87 is a 3-axis
symspgr : the symmetry operation no.  88 is a -3 axis
symplanes : the symmetry operation no.  89 is a g plane
symaxes : the symmetry operation no.  90 is a 2_1-axis
symplanes : the symmetry operation no.  91 is a g plane
symaxes : the symmetry operation no.  92 is a 2_1-axis
symspgr : the symmetry operation no.  93 is a -4 axis
symaxes : the symmetry operation no.  94 is a 4_2-axis
symspgr : the symmetry operation no.  95 is a -4 axis
symaxes : the symmetry operation no.  96 is a 4_2-axis
symspgr : the symmetry operation no.  97 is a pure translation
symspgr : the symmetry operation no.  98 is an inversion
symaxes : the symmetry operation no.  99 is a 2-axis
symplanes : the symmetry operation no. 100 is an n plane
symaxes : the symmetry operation no. 101 is a 2_1-axis
symplanes : the symmetry operation no. 102 is an a,b, or c plane
symaxes : the symmetry operation no. 103 is a 2_1-axis
symplanes : the symmetry operation no. 104 is an a,b, or c plane
symplanes : the symmetry operation no. 105 is a g plane
symaxes : the symmetry operation no. 106 is a 2_1-axis
symspgr : the symmetry operation no. 107 is a -4 axis
symaxes : the symmetry operation no. 108 is a 4_2-axis
symplanes : the symmetry operation no. 109 is a g plane
symaxes : the symmetry operation no. 110 is a 2_1-axis
symspgr : the symmetry operation no. 111 is a -4 axis
symaxes : the symmetry operation no. 112 is a 4_2-axis
symaxes : the symmetry operation no. 113 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 114 is a -3 axis
symaxes : the symmetry operation no. 115 is a 3-axis
symspgr : the symmetry operation no. 116 is a -3 axis
symaxes : the symmetry operation no. 117 is a 3-axis
symspgr : the symmetry operation no. 118 is a -3 axis
symaxes : the symmetry operation no. 119 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 120 is a -3 axis
symplanes : the symmetry operation no. 121 is a g plane
symaxes : the symmetry operation no. 122 is a 2_1-axis
symspgr : the symmetry operation no. 123 is a -4 axis
symaxes : the symmetry operation no. 124 is a 4_2-axis
symspgr : the symmetry operation no. 125 is a -4 axis
symaxes : the symmetry operation no. 126 is a 4_2-axis
symplanes : the symmetry operation no. 127 is a g plane
symaxes : the symmetry operation no. 128 is a 2_1-axis
symaxes : the symmetry operation no. 129 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 130 is a -3 axis
symaxes : the symmetry operation no. 131 is a 3-axis
symspgr : the symmetry operation no. 132 is a -3 axis
symaxes : the symmetry operation no. 133 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 134 is a -3 axis
symaxes : the symmetry operation no. 135 is a 3-axis
symspgr : the symmetry operation no. 136 is a -3 axis
symplanes : the symmetry operation no. 137 is a g plane
symaxes : the symmetry operation no. 138 is a 2-axis
symplanes : the symmetry operation no. 139 is a mirror plane
symaxes : the symmetry operation no. 140 is a 2-axis
symspgr : the symmetry operation no. 141 is a -4 axis
symaxes : the symmetry operation no. 142 is a 4-axis
symspgr : the symmetry operation no. 143 is a -4 axis
symaxes : the symmetry operation no. 144 is a 4-axis
symspgr : the symmetry operation no. 145 is a pure translation
symspgr : the symmetry operation no. 146 is an inversion
symaxes : the symmetry operation no. 147 is a 2_1-axis
symplanes : the symmetry operation no. 148 is an a,b, or c plane
symaxes : the symmetry operation no. 149 is a 2-axis
symplanes : the symmetry operation no. 150 is an n plane
symaxes : the symmetry operation no. 151 is a 2_1-axis
symplanes : the symmetry operation no. 152 is an a,b, or c plane
symplanes : the symmetry operation no. 153 is a g plane
symaxes : the symmetry operation no. 154 is a 2-axis
symspgr : the symmetry operation no. 155 is a -4 axis
symaxes : the symmetry operation no. 156 is a 4-axis
symplanes : the symmetry operation no. 157 is a mirror plane
symaxes : the symmetry operation no. 158 is a 2-axis
symspgr : the symmetry operation no. 159 is a -4 axis
symaxes : the symmetry operation no. 160 is a 4-axis
symaxes : the symmetry operation no. 161 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 162 is a -3 axis
symaxes : the symmetry operation no. 163 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 164 is a -3 axis
symaxes : the symmetry operation no. 165 is a 3-axis
symspgr : the symmetry operation no. 166 is a -3 axis
symaxes : the symmetry operation no. 167 is a 3-axis
symspgr : the symmetry operation no. 168 is a -3 axis
symplanes : the symmetry operation no. 169 is a g plane
symaxes : the symmetry operation no. 170 is a 2_1-axis
symspgr : the symmetry operation no. 171 is a -4 axis
symaxes : the symmetry operation no. 172 is a 4_2-axis
symspgr : the symmetry operation no. 173 is a -4 axis
symaxes : the symmetry operation no. 174 is a 4_2-axis
symplanes : the symmetry operation no. 175 is a g plane
symaxes : the symmetry operation no. 176 is a 2_1-axis
symaxes : the symmetry operation no. 177 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 178 is a -3 axis
symaxes : the symmetry operation no. 179 is a 3-axis
symspgr : the symmetry operation no. 180 is a -3 axis
symaxes : the symmetry operation no. 181 is a 3-axis
symspgr : the symmetry operation no. 182 is a -3 axis
symaxes : the symmetry operation no. 183 is a 3, 3_1 or 3_2 axis
symspgr : the symmetry operation no. 184 is a -3 axis
symplanes : the symmetry operation no. 185 is a g plane
symaxes : the symmetry operation no. 186 is a 2_1-axis
symplanes : the symmetry operation no. 187 is a g plane
symaxes : the symmetry operation no. 188 is a 2_1-axis
symspgr : the symmetry operation no. 189 is a -4 axis
symaxes : the symmetry operation no. 190 is a 4_2-axis
symspgr : the symmetry operation no. 191 is a -4 axis
symaxes : the symmetry operation no. 192 is a 4_2-axis
symspgr : spgroup= 225  Fm -3 m   (=Oh^5)
getkgrid : length of smallest supercell vector (bohr)=    8.000000E+01
       Simple Lattice Grid
symkpt : found identity, with number  1
invars1: mkmem  undefined in the input file. Use default mkmem  = nkpt
invars1: With nkpt_me=   60 and mkmem  =    60, ground state wf handled in core.
invars1: mkqmem undefined in the input file. Use default mkqmem = nkpt
invars1: With nkpt_me=   60 and mkqmem =    60, ground state wf handled in core.
invars1: mk1mem undefined in the input file. Use default mk1mem = nkpt
invars1: With nkpt_me=   60 and mk1mem =    60, ground state wf handled in core.

Symmetries : space group Fm -3 m (#225); Bravais cF (face-center cubic)
getkgrid : length of smallest supercell vector (bohr)=    8.000000E+01
       Simple Lattice Grid
symkpt : found identity, with number  1

inkpts : istwfk preprocessed, gives following first values (max. 6): 1 1 1 1 1 1
chkneu : initialized the occupation numbers for occopt=    7
    spin-unpolarized case :
  2.00  2.00  0.00  0.00
  distrb2: enter
  mpi_enreg%parareel=           0
  mpi_enreg%paralbd=           0
  mpi_enreg%paral_compil_respfn=           0
  distrb2: exit
npfft and npband           2           1
For input ecut=  3.000000E+01 best grid ngfft=      36      36      36
       max ecut=  3.197752E+01
getng: value of mgfft=      36 and nfft=       23328
getng: values of ngfft(4),ngfft(5),ngfft(6)      37      37      36
getmpw: optimal value of mpw=     988

getdim_nloc : deduce lmnmax  =  14, lnmax  =   6,
                      lmnmaxso=  25, lnmaxso=   9.
memory : analysis of memory needs
================================================================================
Values of the parameters that define the memory need of the present run
   intxc =         0  ionmov =         0    iscf =         5     ixc =         1
  lmnmax =         6   lnmax =         6   mband =         4  mffmem =         1
P  mgfft =        36   mkmem =        60 mpssoang=         3     mpw =       988
  mqgrid =      3001   natom =         1    nfft =     23328    nkpt =        60
  nloalg =         4  nspden =         1 nspinor =         1  nsppol =         1
    nsym =        48  n1xccc =         0  ntypat =         1  occopt =         7
================================================================================
P This job should need less than                      11.987 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
  WF disk file :      7.238 Mbytes ; DEN or POT disk file :      0.180 Mbytes.
================================================================================

Biggest array : cg(disk), with      3.6202 MBytes.
memana : allocated an array of      3.620 Mbytes, for testing purposes.
memana : allocated      11.987 Mbytes, for testing purposes.
The job will continue.
-outvars: echo values of preprocessed input variables --------
     acell    1.0000000000E+01  1.0000000000E+01  1.0000000000E+01 Bohr
       amu    2.07200000E+02
      ecut    3.00000000E+01 Hartree
      iscf         5
       kpt   -6.25000000E-02 -1.25000000E-01   0.00000000E+00
             -6.25000000E-02 -2.50000000E-01  0.00000000E+00
             -1.25000000E-01 -1.87500000E-01  0.00000000E+00
             -6.25000000E-02 -1.87500000E-01  6.25000000E-02
             - 6.25000000E-02 -3.75000000E-01  0.00000000E+00
             -1.25000000E-01 -3.12500000E-01  0.00000000E+00
             -6.25000000E-02 -3.12500000E-01  6.25000000E-02
             -1.87500000E-01 -2.50000000E-01   0.00000000E+00
             -1.25000000E-01 -2.50000000E-01  6.25000000E-02
             -6.25000000E-02 -2.50000000E-01  1.25000000E-01
             -6.25000000E-02  5.00000000E-01  0.00000000E+00
             - 1.25000000E-01 -4.37500000E-01  0.00000000E+00
             -6.25000000E-02 -4.37500000E-01  6.25000000E-02
             -1.87500000E-01 -3.75000000E-01  0.00000000E+00
             -1.25000000E-01 -3.75000000E-01   6.25000000E-02
             -6.25000000E-02 -3.75000000E-01  1.25000000E-01
             -2.50000000E-01 -3.12500000E-01  0.00000000E+00
             -1.87500000E-01 -3.12500000E-01  6.25000000E-02
             - 1.25000000E-01 -3.12500000E-01  1.25000000E-01
             -6.25000000E-02 -3.12500000E-01  1.87500000E-01
             -6.25000000E-02  3.75000000E-01  0.00000000E+00
             -1.25000000E-01  4.37500000E-01   0.00000000E+00
             -1.87500000E-01  5.00000000E-01  0.00000000E+00
             -1.25000000E-01  5.00000000E-01  6.25000000E-02
             -2.50000000E-01 -4.37500000E-01  0.00000000E+00
             - 1.87500000E-01 -4.37500000E-01  6.25000000E-02
             -1.25000000E-01 -4.37500000E-01  1.25000000E-01
             -6.25000000E-02 -4.37500000E-01  1.87500000E-01
             -3.12500000E-01 -3.75000000E-01   0.00000000E+00
             -2.50000000E-01 -3.75000000E-01  6.25000000E-02
             -1.87500000E-01 -3.75000000E-01  1.25000000E-01
             -1.25000000E-01 -3.75000000E-01  1.87500000E-01
             - 6.25000000E-02 -3.75000000E-01  2.50000000E-01
             -6.25000000E-02  2.50000000E-01  0.00000000E+00
             -1.25000000E-01  3.12500000E-01  0.00000000E+00
             -1.87500000E-01  3.75000000E-01   0.00000000E+00
             -2.50000000E-01  4.37500000E-01  0.00000000E+00
             -3.12500000E-01  5.00000000E-01  0.00000000E+00
             -2.50000000E-01  5.00000000E-01  6.25000000E-02
             - 1.87500000E-01  5.00000000E-01  1.25000000E-01
             -3.75000000E-01 -4.37500000E-01  0.00000000E+00
             -3.12500000E-01 -4.37500000E-01  6.25000000E-02
             -2.50000000E-01 -4.37500000E-01   1.25000000E-01
             -1.87500000E-01 -4.37500000E-01  1.87500000E-01
             -1.25000000E-01 -4.37500000E-01  2.50000000E-01
             -6.25000000E-02 -4.37500000E-01  3.12500000E-01
             - 6.25000000E-02  1.25000000E-01  0.00000000E+00
             -1.25000000E-01  1.87500000E-01  0.00000000E+00
             -1.87500000E-01  2.50000000E-01  0.00000000E+00
             -2.50000000E-01  3.12500000E-01   0.00000000E+00
                       outvar1 : prtvol=0, do not print more k-points.
   kptrlen    8.00000000E+01
    kptopt         1
  kptrlatt    8 -8  8  -8  8  8  -8 -8  8
P    mkmem        60
     natom         1
     nband         4
     ngfft        36      36      36
      nkpt        60
     nstep         3
      nsym        48
    ntypat         1
       occ    2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
              2.000000  2.000000  0.000000  0.000000
               2.000000  2.000000  0.000000  0.000000
                prtocc : prtvol=0, do not print more k-points.
    occopt         7
     rprim    0.0000000000E+00  5.0000000000E-01  5.0000000000E-01
              5.0000000000E-01   0.0000000000E+00  5.0000000000E-01
              5.0000000000E-01  5.0000000000E-01  0.0000000000E+00
    shiftk    5.00000000E-01  5.00000000E-01  5.00000000E-01
   spgroup       225
    symrel    1  0  0   0  1  0   0  0  1      -1  0  0   0 -1  0   0  0 -1
              0 -1  1   0 -1  0   1 -1  0       0  1 -1   0  1  0  -1  1  0
             -1  0  0  -1  0  1  -1  1  0       1  0  0   1  0 -1   1 -1  0
              0  1 -1   1  0 -1   0  0 -1       0 -1  1  -1  0  1   0  0  1
             -1  0  0  -1  1  0  -1  0  1       1  0  0   1 -1  0   1  0 -1
              0 -1  1   1 -1  0   0 -1  0       0  1 -1  -1  1  0   0  1  0
              1  0  0   0  0  1   0  1  0      -1  0  0   0  0 -1   0 -1  0
              0  1 -1   0  0 -1   1  0 -1       0 -1  1   0  0  1  -1  0  1
             -1  0  1  -1  1  0  -1  0  0       1  0 -1   1 -1  0   1  0  0
              0 -1  0   1 -1  0   0 -1  1       0  1  0  -1  1  0   0  1 -1
              1  0 -1   0  0 -1   0  1 -1      -1  0  1   0  0  1   0 -1  1
              0  1  0   0  0  1   1  0  0       0 -1  0   0  0 -1  -1  0  0
              1  0 -1   0  1 -1   0  0 -1      -1  0  1   0 -1  1   0  0  1
              0 -1  0   0 -1  1   1 -1  0       0  1  0   0  1 -1  -1  1  0
             -1  0  1  -1  0  0  -1  1  0       1  0 -1   1  0  0   1 -1  0
              0  1  0   1  0  0   0  0  1       0 -1  0  -1  0  0   0  0 -1
              0  0 -1   0  1 -1   1  0 -1       0  0  1   0 -1  1  -1  0  1
              1 -1  0   0 -1  1   0 -1  0      -1  1  0   0  1 -1   0  1  0
              0  0  1   1  0  0   0  1  0       0  0 -1  -1  0  0   0 -1  0
             -1  1  0  -1  0  0  -1  0  1       1 -1  0   1  0  0   1  0 -1
              0  0  1   0  1  0   1  0  0       0  0 -1   0 -1  0  -1  0  0
              1 -1  0   0 -1  0   0 -1  1      -1  1  0   0  1  0   0  1 -1
              0  0 -1   1  0 -1   0  1 -1       0  0  1  -1  0  1   0 -1  1
             -1  1  0  -1  0  1  -1  0  0       1 -1  0   1  0 -1   1  0  0
    tolvrs    1.00000000E-10
    tsmear    1.00000000E-02 Hartree
     typat    1
       wtk      0.01172    0.01172    0.01172    0.02344    0.01172    0.01172
                0.02344    0.01172    0.02344    0.02344    0.01172    0.01172
                0.02344     0.01172    0.02344    0.02344    0.01172    0.02344
                0.02344    0.02344    0.01172    0.01172    0.01172    0.02344
                0.01172    0.02344    0.02344    0.02344    0.01172    0.02344
                 0.02344    0.02344    0.02344    0.01172    0.01172    0.01172
                0.01172    0.01172    0.02344    0.02344    0.01172    0.02344
                0.02344    0.02344    0.02344    0.02344    0.01172    0.01172
                0.01172    0.01172
                outvar1 : prtvol=0, do not print more k-points.
     znucl     82.00000

================================================================================

chkinp: machine precision is   2.2204460492503131E-16

chkinp: Checking input parameters for consistency.

chkinp: WARNING -
  The output files provided (_WFK, _DEN, _POT ...) are not given
  for the whole real or reciprocical grid, but for a slide.
  Consequence : the restart and various utilities (aim ...) do not work.
-P-0000
-P-0000 ================================================================================
-P-0000 == DATASET  1 ==================================================================
-P-0000
dtsetcopy : copying area  algalch    the actual size (           1
) of the index (           1 )  differs from its standard size (           0 )
dtsetcopy : this could be a bug
dtsetcopy : copying area  kberry     the actual size (          20
) of the index (           2 )  differs from its standard size (           1 )
dtsetcopy : this could be a bug
dtsetcopy : copying area  nband      the actual size (          60
) of the index (           1 )  differs from its standard size (           1 )
dtsetcopy : this could be a bug
dtsetcopy : copying area  mixalch    the actual size (           1
) of the index (           1 )  differs from its standard size (           0 )
dtsetcopy : this could be a bug
dtsetcopy : copying area  mixalch    the actual size (           1
) of the index (           2 )  differs from its standard size (           0 )
dtsetcopy : this could be a bug
dtsetcopy : copying area  shiftk     the actual size (           8
) of the index (           2 )  differs from its standard size (           1 )
dtsetcopy : this could be a bug

getdim_nloc : deduce lmnmax  =  14, lnmax  =   6,
                      lmnmaxso=  25, lnmaxso=   9.
npfft and npband           2           1
Unit cell volume ucvol=  2.5000000E+02 bohr^3
Angles (23,13,12)=  6.00000000E+01  6.00000000E+01  6.00000000E+01 degrees

getcut: wavevector=  0.0000  0.0000  0.0000   ngfft=  36  36  36
         ecut(hartree)=     30.000   => boxcut(ratio)=   2.06487
- pspatm: opening atomic psp file    /home/rsaha/abinit-5.3.4/tests/Psps_for_tests/HGH/82pb.4.hgh
Hartwigsen-Goedecker-Hutter psp for Pb,  from PRB58, 3641 (1998)
  82.00000   4.00000     10605                znucl, zion, pspdat
    3    1    2    0      2001   0.00000      pspcod,pspxc,lmax,lloc,mmax,r2well
rloc=   0.6175000
cc1 =   0.7531430; cc2 =   0.0000000; cc3 =   0.0000000; cc4 =   0.0000000
rrs =   0.7052590; h11s=   1.9799270; h22s=  -0.1649600; h33s=  -0.8060600
rrp =   0.8466410; h11p=   0.8644200; h22p=  -0.5409690; h33p=   0.0000000
                    k11p=   0.2077110 ; k22p=   0.0129480; k33p=   0.0000000
rrd =   0.9719390; h11d=   0.3749670; h22d=   0.0000000; h33d=   0.0000000
                    k11d=   0.0292560; k22d=   0.0000000; k33d=   0.0000000
-  Local part computed in reciprocal space.

pspatm : COMMENT -
  the projectors are not normalized,
  so that the KB energies are not consistent with
  definition in PRB44, 8503 (1991).
  However, this does not influence the results obtained hereafter.
pspatm: epsatm=   12.37618897
         --- l  ekb(1:nproj) -->
             0   -1.367110    0.141978    2.479722
             1   -1.780211    2.777773
             2    4.356433
pspatm: atomic psp has been read  and splines computed

   4.95047559E+01                                ecore*ucvol(ha*bohr**3)
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           1
before sum, npwtot         976
after  sum, npwtot        1973
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=     1
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           2
before sum, npwtot         973
after  sum, npwtot        1961
-P-0000  wfconv:     4 bands initialized randomly with npw=   973, for ikpt=     2
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           3
before sum, npwtot         975
after  sum, npwtot        1970
-P-0000  wfconv:     4 bands initialized randomly with npw=   975, for ikpt=     3
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           4
before sum, npwtot         970
after  sum, npwtot        1962
-P-0000  wfconv:     4 bands initialized randomly with npw=   970, for ikpt=     4
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           5
before sum, npwtot         978
after  sum, npwtot        1959
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=     5
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           6
before sum, npwtot         973
after  sum, npwtot        1960
-P-0000  wfconv:     4 bands initialized randomly with npw=   973, for ikpt=     6
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           7
before sum, npwtot         977
after  sum, npwtot        1965
-P-0000  wfconv:     4 bands initialized randomly with npw=   977, for ikpt=     7
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           8
before sum, npwtot         978
after  sum, npwtot        1973
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=     8
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft           9
before sum, npwtot         973
after  sum, npwtot        1966
-P-0000  wfconv:     4 bands initialized randomly with npw=   973, for ikpt=     9
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          10
before sum, npwtot         976
after  sum, npwtot        1963
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    10
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          11
before sum, npwtot         979
after  sum, npwtot        1961
-P-0000  wfconv:     4 bands initialized randomly with npw=   979, for ikpt=    11
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          12
before sum, npwtot         976
after  sum, npwtot        1956
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    12
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          13
before sum, npwtot         977
after  sum, npwtot        1959
-P-0000  wfconv:     4 bands initialized randomly with npw=   977, for ikpt=    13
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          14
before sum, npwtot         980
after  sum, npwtot        1970
-P-0000  wfconv:     4 bands initialized randomly with npw=   980, for ikpt=    14
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          15
before sum, npwtot         978
after  sum, npwtot        1964
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=    15
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          16
before sum, npwtot         977
after  sum, npwtot        1959
-P-0000  wfconv:     4 bands initialized randomly with npw=   977, for ikpt=    16
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          17
before sum, npwtot         985
after  sum, npwtot        1977
-P-0000  wfconv:     4 bands initialized randomly with npw=   985, for ikpt=    17
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          18
before sum, npwtot         976
after  sum, npwtot        1968
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    18
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          19
before sum, npwtot         974
after  sum, npwtot        1959
-P-0000  wfconv:     4 bands initialized randomly with npw=   974, for ikpt=    19
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          20
before sum, npwtot         976
after  sum, npwtot        1962
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    20
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          21
before sum, npwtot         984
after  sum, npwtot        1964
-P-0000  wfconv:     4 bands initialized randomly with npw=   984, for ikpt=    21
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          22
before sum, npwtot         984
after  sum, npwtot        1971
-P-0000  wfconv:     4 bands initialized randomly with npw=   984, for ikpt=    22
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          23
before sum, npwtot         980
after  sum, npwtot        1960
-P-0000  wfconv:     4 bands initialized randomly with npw=   980, for ikpt=    23
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          24
before sum, npwtot         982
after  sum, npwtot        1963
-P-0000  wfconv:     4 bands initialized randomly with npw=   982, for ikpt=    24
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          25
before sum, npwtot         978
after  sum, npwtot        1960
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=    25
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          26
before sum, npwtot         979
after  sum, npwtot        1961
-P-0000  wfconv:     4 bands initialized randomly with npw=   979, for ikpt=    26
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          27
before sum, npwtot         979
after  sum, npwtot        1962
-P-0000  wfconv:     4 bands initialized randomly with npw=   979, for ikpt=    27
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          28
before sum, npwtot         978
after  sum, npwtot        1965
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=    28
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          29
before sum, npwtot         986
after  sum, npwtot        1968
-P-0000  wfconv:     4 bands initialized randomly with npw=   986, for ikpt=    29
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          30
before sum, npwtot         978
after  sum, npwtot        1959
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=    30
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          31
before sum, npwtot         976
after  sum, npwtot        1960
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    31
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          32
before sum, npwtot         975
after  sum, npwtot        1963
-P-0000  wfconv:     4 bands initialized randomly with npw=   975, for ikpt=    32
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          33
before sum, npwtot         976
after  sum, npwtot        1960
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    33
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          34
before sum, npwtot         972
after  sum, npwtot        1961
-P-0000  wfconv:     4 bands initialized randomly with npw=   972, for ikpt=    34
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          35
before sum, npwtot         976
after  sum, npwtot        1962
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    35
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          36
before sum, npwtot         984
after  sum, npwtot        1974
-P-0000  wfconv:     4 bands initialized randomly with npw=   984, for ikpt=    36
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          37
before sum, npwtot         976
after  sum, npwtot        1959
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    37
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          38
before sum, npwtot         978
after  sum, npwtot        1963
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=    38
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          39
before sum, npwtot         978
after  sum, npwtot        1964
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=    39
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          40
before sum, npwtot         978
after  sum, npwtot        1958
-P-0000  wfconv:     4 bands initialized randomly with npw=   978, for ikpt=    40
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          41
before sum, npwtot         988
after  sum, npwtot        1977
-P-0000  wfconv:     4 bands initialized randomly with npw=   988, for ikpt=    41
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          42
before sum, npwtot         986
after  sum, npwtot        1969
-P-0000  wfconv:     4 bands initialized randomly with npw=   986, for ikpt=    42
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          43
before sum, npwtot         983
after  sum, npwtot        1962
-P-0000  wfconv:     4 bands initialized randomly with npw=   983, for ikpt=    43
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          44
before sum, npwtot         975
after  sum, npwtot        1955
-P-0000  wfconv:     4 bands initialized randomly with npw=   975, for ikpt=    44
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          45
before sum, npwtot         974
after  sum, npwtot        1951
-P-0000  wfconv:     4 bands initialized randomly with npw=   974, for ikpt=    45
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          46
before sum, npwtot         972
after  sum, npwtot        1948
-P-0000  wfconv:     4 bands initialized randomly with npw=   972, for ikpt=    46
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          47
before sum, npwtot         970
after  sum, npwtot        1963
-P-0000  wfconv:     4 bands initialized randomly with npw=   970, for ikpt=    47
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          48
before sum, npwtot         972
after  sum, npwtot        1960
-P-0000  wfconv:     4 bands initialized randomly with npw=   972, for ikpt=    48
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          49
before sum, npwtot         975
after  sum, npwtot        1959
-P-0000  wfconv:     4 bands initialized randomly with npw=   975, for ikpt=    49
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          50
before sum, npwtot         976
after  sum, npwtot        1957
-P-0000  wfconv:     4 bands initialized randomly with npw=   976, for ikpt=    50
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          51
before sum, npwtot         974
after  sum, npwtot        1961
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          52
before sum, npwtot         977
after  sum, npwtot        1962
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          53
before sum, npwtot         986
after  sum, npwtot        1975
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          54
before sum, npwtot         983
after  sum, npwtot        1971
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          55
before sum, npwtot         977
after  sum, npwtot        1954
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          56
before sum, npwtot         974
after  sum, npwtot        1951
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          57
before sum, npwtot         964
after  sum, npwtot        1947
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          58
before sum, npwtot         968
after  sum, npwtot        1958
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          59
before sum, npwtot         966
after  sum, npwtot        1967
mpi_enreg%paral_level           2
mpi_enreg%num_group_fft          60
before sum, npwtot         968
after  sum, npwtot        1949

setup2: Arith. and geom. avg. npw (full set) are     977.246     977.237
symatm: atom number    1 is reached starting at atom
   1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
   1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
initro : for itypat=  1, take decay length=      1.2500,
initro : indeed, coreel=     78.0000, nval=  4 and densty=  0.0000E+00.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
libc.so.6          0000002A95CE1F20  Unknown               Unknown  Unknown
libc.so.6          0000002A95CE2367  Unknown               Unknown  Unknown
abinip             0000000000E7B1D7  Unknown               Unknown  Unknown
abinip             0000000000E7B140  Unknown               Unknown  Unknown
abinip             0000000000B85871  Unknown               Unknown  Unknown
abinip             00000000007EF858  Unknown               Unknown  Unknown
abinip             000000000042A1EE  Unknown               Unknown  Unknown
abinip             00000000004141CC  Unknown               Unknown  Unknown
abinip             000000000040B411  Unknown               Unknown  Unknown
abinip             0000000000405A7A  Unknown               Unknown  Unknown
libc.so.6          0000002A95C95E5D  Unknown               Unknown  Unknown
abinip             00000000004059AA  Unknown               Unknown  Unknown

I would really appreciate any help.

Thanks,

Rajdeep Saha.

-- 
Pierre-Matthieu Anglade