I am attempting to run anaddb (interested in raman) for calcite with a rhombohedral primitive cell. I have been getting segmentation faults. They are not always in the same place in the code, but they all seem to boil down to "syntax errors" in the fortran files (which I know cannot be right because the anaddb fortran files all run fine when I use tutorial input files). I can't tell where the error is coming from. Everything seems to run fine: abinit, mrgddb until I get to anaddb and then I get this weird segmentation fault. There are some warnings in abinit, which I know about because I am ignoring some of the necessary convergence studies as at this stage I just want to see how close I can come and then I will refine everything later. Is it possible I am running out of memory?
The error looks like this when I run anaddb in gdb:
Program received signal SIGSEGV, Segmentation fault.
0x00007ffff7b85e08 in _gfortran_reshape_r8 () from /usr/lib/libgfortran.so.3
The output file contains nothing.
The log file contains nothing.
I am running Abinit-6.8.1 on a 64-bit Dell precision T7500 linux workstation running Ubuntu 10.10.
I have attached all the relevant input files.
I am using the following pseudopotentials:
20ca.2.hgh
6c.pspnc
8o.pspnc
from the Psps_for_tests directory.
Every time I try to solve this I feel like I've hit a wall. Any help would be greatly appreciated.
Many thanks,
loniarf
calciteR_nlorespfn.in- abinit input file
- (2.51 KiB) Downloaded 310 times
- calciteR_nlorespfn2.in
- anaddb input file
- (739 Bytes) Downloaded 273 times
- calcite_nlorespfn1.ddb.out
- ddb file produced with abinit output and mrgddb
- (53.76 KiB) Downloaded 287 times