[DFTB-Plus-User] DFTB+NEGF, SIGSEGV: Segmentation fault

Yuranan Hanlumyuang yhanlumyuang at uh.edu
Mon Feb 11 20:24:45 CET 2013

   I was trying to complete an NEGF calculation in the graphene example
(provided with the package).   However, I received the following error :

Program received signal SIGSEGV: Segmentation fault - invalid memory

Backtrace for this error:
#0  0x2BA846130F17
#1  0x2BA8461314E4
#2  0x318FE302CF
#3  0x42738C in MAIN__ at dftb+.f90:0

I have set ulimit -s unlimited, but that didn't solve the problem. Except
the graphene_x example,
the NEGF is carried through completion in the  other autotests  CH4,
CH4-possion, CNT, GaAs.

I suspect that the cause could be either a memory issue or the
compilation.  The Fortran and C compliers
for this installation are  gfortran, gcc version 4.7.2 . The math library
is ATLAS, complied with gcc+gfortran 4.7.2.

Any questions for clarification  are welcome.   A solution to this issue
will be greatly appreciated.

Yuranan Hanlumyuang
Mechanical Engineering
University of Houston
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