ABINIT Discussion Forums

Dear All:

I'm trying to calculate the Density of State of a system containing 27 Se atoms. The input file is attached as (Se_27PAW_atoms.in).

It can actually run for a long while (cpu time > 20 hours), and even the Density file (_DEN) is obtained, too.

However, after that it crashes. In the log file, it does not contain any error, but only has sth weird at the very end:

Subroutine Unknown:0:COMMENT
MPI/IO accessing FORTRAN file header: detected record mark length=4
ioarr: data written to disk file Se_PAW27_GSo_TIM1_DEN
partial_dos_fractions : rmax = 4.00000000000000
Unit cell volume ucvol= 1.4813517E+04 bohr^3
Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 1.20000000E+02 degrees
Relative gap for number of plane waves between process: 0.00
Relative gap for number of plane waves between process: 0.00
Relative gap for number of plane waves between process: 0.01
Relative gap for number of plane waves between process: 0.01
Relative gap for number of plane waves between process: 0.01
Relative gap for number of plane waves between process: 0.01
Relative gap for number of plane waves between process: 0.01
kpgio: loop on k-points done in parallel
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred

=====================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 44544
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=====================================================================================

Is there any idea what this problem might be? Is it caused by input file or sth else?

Kindest thanks for any suggestions.