[DFTB-Plus-User] Segmentation Fault while using flux program for local current
Naskar, Dr. Sumit
sumit.naskar at uni-hamburg.de
Thu Sep 21 14:19:28 CEST 2023
Hello,
I'm trying to get transmission pathways through local current calculation. The SCC calculation converged (for all source, drain, and the device), the problem occurs while I'm using flux program as:
flux supercell.xyz -b lcurrents_u.dat 3 -w 0.3 -f 1.0 > scr.jmol
it is showing:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0 0x442b9f in ???
#1 0x49441e in ???
#2 0x41d781 in list_formatted_read_scalar
at ../.././libgfortran/io/list_read.c:2253
#3 0x401fe9 in ???
#4 0x400cbc in ???
#5 0x444ec0 in ???
#6 0x4012ad in ???
Segmentation fault (core dumped)
I have attached the input file for your reference. Please suggest me what is causing the error.
Regards,
Sumit
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