SIGSEVG error when running LNONCOLLINEAR in VASP.5.4.1

Problems running VASP: crashes, internal errors, "wrong" results.


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rfaccio
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SIGSEVG error when running LNONCOLLINEAR in VASP.5.4.1

#1 Post by rfaccio » Sat Aug 22, 2015 5:48 pm

Dear Community
I'm having a problem when running LNONCOLLINEAR calculation with the last version of VASP (5.4.1).
I performed several calculations with the complex version of the executable without any problem. But when I tried to run a calculation with LNONCOLLINEAR = .TRUE. a sigsegv appear. See below.

I have openmpi with intel_composer_xe_2015.0.090. I compiled vasp according to the new structure (http://cms.mpi.univie.ac.at/wiki/index. ... lling_VASP), using makefile.include.linux_intel.
This problem appears for every case in which I tried to use LNONCOLLINEAR = .TRUE., including the example on VASP wiki. http://cms.mpi.univie.ac.at/wiki/index. ... _monolayer.
Thank you very much in advance.
Best regards
Ricardo Faccio

######
running on 1 total cores
distrk: each k-point on 1 cores, 1 groups
distr: one band on 1 cores, 1 groups
using from now: INCAR
vasp.5.4.1 24Jun15 (build Jun 30 2015 10:56:48) complex

POSCAR found : 1 types and 1 ions
scaLAPACK will be used
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp5.4.1_par 0000000001653431 Unknown Unknown Unknown
vasp5.4.1_par 0000000001651B87 Unknown Unknown Unknown
vasp5.4.1_par 00000000015D4FC4 Unknown Unknown Unknown
vasp5.4.1_par 00000000015D4DD6 Unknown Unknown Unknown
vasp5.4.1_par 000000000158145F Unknown Unknown Unknown
vasp5.4.1_par 000000000158741D Unknown Unknown Unknown
libpthread.so.0 00002B8C1821ECB0 Unknown Unknown Unknown
vasp5.4.1_par 000000000066EF47 Unknown Unknown Unknown
vasp5.4.1_par 00000000008860B3 Unknown Unknown Unknown
vasp5.4.1_par 0000000000DD69B7 Unknown Unknown Unknown
vasp5.4.1_par 00000000013E842B Unknown Unknown Unknown
vasp5.4.1_par 000000000041257E Unknown Unknown Unknown
libc.so.6 00002B8C1844D76D Unknown Unknown Unknown
vasp5.4.1_par 0000000000412489 Unknown Unknown Unknown

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Re: SIGSEVG error when running LNONCOLLINEAR in VASP.5.4.1

#2 Post by support_vasp » Tue Sep 10, 2024 2:42 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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