[Pw_forum] segmentation fault

Vishal Gupta vishal.gupta at iitrpr.ac.in
Sat Jun 20 18:49:08 CEST 2015


Hi,
I've been running an SCF calculation for a fee Ni system on High
performance cluster but no matter how many processors I choose to run it,
it always leads to segmentation fault :-
mpirun noticed that process rank 0 with PID 6353 on node c7c exited on
signal 11 (Segmentation fault).
or excessive memory leakage.
I mostly chose 6-20 processors but I've tried it once with 40 also.
Input file :-
 &CONTROL
                 calculation = 'scf' ,
                  pseudo_dir = '/home/vishalgupta/GB' ,

 /
 &SYSTEM
                       ibrav = 0,
                         nat = 44,
                        ntyp = 1,
                     ecutwfc = 55 ,
 /
 &ELECTRONS
                 mixing_beta = 0.7 ,
             diagonalization = 'cg' ,
 /
CELL_PARAMETERS angstrom
    22.271206224    0.000000000    0.000000000
     0.000000000   11.150000000    0.000000000
     0.000000000    0.000000000    1.500000000
ATOMIC_SPECIES
   Ni   58.69340  Ni.pz-hgh.UPF
ATOMIC_POSITIONS angstrom
Ni      7.789220206286963     10.020142143601101      0.000000000000000
Ni      0.000000000000000      0.000000000000000      0.000000000000000
 ......

K_POINTS automatic
  40 20 9   0 0 0

Can somebody tell me where the problem lies ?
Thank you

Vishal Gupta
B.Tech. 2nd year Mechanical
Indian Institute of Technology Ropar
Rupnagar (140001), Punjab, India.
Email :- vishal.gupta at iitrpr.ac.in
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150620/4a800d76/attachment.html>


More information about the users mailing list