I have a question.
I tried to calculate example[Handson2] for "Si" in "http://cms.mpi.univie.ac.at/vasp-workshop/".
But I faced the error as following. What is the reason?
Anoher problems?
I applied all the same as workshop in INPUT.
----------------------------------------------------------------------
vasp.4.6.28 25Jul05 complex
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
entering main loop
N E dE d eps ncg rms rmc(c)
Segmentation fault (core dumped)
----------------------------------------------------------------------
INCAR
general:
System = fcc Si
ISTART = 0 ; ICHARG=2
ENCUT = 240
ISMEAR = 0; SIGMA = 0.1;
KOINTS
K-Points
0
Monkhorst Pack
11 11 11
0 0 0
POSCAR
fcc Si:
3.9
0.5 0.5 0.0
0.0 0.5 0.5
0.5 0.0 0.5
1
cartesian
0 0 0
<span class='smallblacktext'>[ Edited ]</span>
segmentation fault??
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- hacret
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segmentation fault??
Last edited by hacret on Wed Feb 01, 2006 11:58 pm, edited 1 time in total.
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segmentation fault??
It might be the memory requirement, for “ Core damped � Try first for small K-points and cutoff energy if that works. But I think it should work. Your input parameters are okay.
Last edited by des on Thu Feb 02, 2006 10:56 pm, edited 1 time in total.
- hacret
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segmentation fault??
thanks for your advice... ^^
Last edited by hacret on Fri Feb 03, 2006 11:12 am, edited 1 time in total.
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segmentation fault??
alternatively, you can run the job parallel, this distributes the load of memory among the CPUs
Last edited by admin on Tue Feb 07, 2006 11:32 am, edited 1 time in total.