[DFTB-Plus-User] DFTB+NEGF, SIGSEGV: Segmentation fault
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:
#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.
University of Houston
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