Page 1 of 1
core charge AECCAR0 and valance charge AECCAR2
Posted: Wed Sep 26, 2007 1:32 pm
by lsam
I want to write the files AECCAR0 and AECCAR2. So, I added in my INCAR file the line LAECHG=.TRUE., but the run stops due to the follow error:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Stack trace terminated abnormally.
Help please?
Regards
core charge AECCAR0 and valance charge AECCAR2
Posted: Wed Sep 26, 2007 1:51 pm
by admin
at which stage did the execution of vasp stop?
core charge AECCAR0 and valance charge AECCAR2
Posted: Wed Sep 26, 2007 2:13 pm
by lsam
There is all the output:
vasp.4.6.31 08Feb07 complex
POSCAR found : 2 types and 2 ions
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Regards
Stack trace terminated abnormally.
core charge AECCAR0 and valance charge AECCAR2
Posted: Wed Sep 26, 2007 4:14 pm
by graeme
I have seen this before and found that it is caused by insufficient memory. If you run the same job in parallel, spreading the memory across several machines, you can generate these charge density files.
core charge AECCAR0 and valance charge AECCAR2
Posted: Thu Sep 27, 2007 8:17 am
by admin
another alternative (if you have no possibility to run vasp parallel, which would be the best solution to your problem) would be to reduce the required memory wherever reasonable (KPOINTS, PREC, ENCUT,....)