need help vasp5.3.3

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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mimou7525
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need help vasp5.3.3

#1 Post by mimou7525 » Mon Mar 11, 2013 4:58 pm

hello,
I am a new user code vasp I compiller program with intel fortran 2013, but when I excute the program on the test file, it shows me this error:

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.5.3.3 18Dez12 (build Mar 11 2013 11:13:45) complex

POSCAR found : 2 types and 2 ions
scaLAPACK will be used
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...
WAVECAR not read
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
entering main loop
N E dE d eps ncg rms rms(c)
Erreur de segmentation
thanks
Last edited by mimou7525 on Mon Mar 11, 2013 4:58 pm, edited 1 time in total.

admin
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need help vasp5.3.3

#2 Post by admin » Tue Mar 12, 2013 11:47 am

Have a look at discussions on the segmentaion fault.
Check the stacksize in your .cshrc/.bashrc
(ulimit -s unlimited).
Last edited by admin on Tue Mar 12, 2013 11:47 am, edited 1 time in total.

mimou7525
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Joined: Tue Mar 05, 2013 1:48 pm

need help vasp5.3.3

#3 Post by mimou7525 » Tue Mar 12, 2013 2:59 pm

hello
I do not understand, how am I going to solve this problem in the file. bashrc.
thank you
Last edited by mimou7525 on Tue Mar 12, 2013 2:59 pm, edited 1 time in total.

mimou7525
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Posts: 4
Joined: Tue Mar 05, 2013 1:48 pm

need help vasp5.3.3

#4 Post by mimou7525 » Tue Mar 12, 2013 4:33 pm

dear
add the line (ulimit -s unlimited) in .bashrc file and it's work
thanks admin
Last edited by mimou7525 on Tue Mar 12, 2013 4:33 pm, edited 1 time in total.

kmkumar
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need help vasp5.3.3

#5 Post by kmkumar » Tue Apr 09, 2013 4:01 am

I end up with a similar error!

=====================
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.5.3.3 18Dez12 (build Apr 08 2013 18:32:21) complex

POSCAR found : 1 types and 4 ions
scaLAPACK will be used
LDA part: xc-table for Pade appr. of Perdew
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
libmpi.so.0 00002AAAAB15A390 Unknown Unknown Unknown
vasp 00000000010A8863 Unknown Unknown Unknown
vasp 00000000010A3C98 Unknown Unknown Unknown
vasp 00000000010A3B64 Unknown Unknown Unknown
vasp 00000000004D749F Unknown Unknown Unknown
vasp 00000000004CB0E1 Unknown Unknown Unknown
vasp 0000000000B7F634 Unknown Unknown Unknown
vasp 0000000000B98242 Unknown Unknown Unknown
vasp 0000000000475C5B Unknown Unknown Unknown
vasp 000000000044FEBC Unknown Unknown Unknown
libc.so.6 00002AAAAE36DCDD Unknown Unknown Unknown
vasp 000000000044FD49 Unknown Unknown Unknown

===============================

Changed ulimit -s unlimited
Nothing worked

Changed the following also as suggested in the
previous posts.

#BLAS= -lguide -mkl
BLAS = -liomp5 -mkl

Nothing seems working.
Can someone help please..
Last edited by kmkumar on Tue Apr 09, 2013 4:01 am, edited 1 time in total.

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