SIGSEVG error when running LNONCOLLINEAR in VASP.5.4.1
Posted: 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
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