Segmentation fault vasp 5 (serial version)

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


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zrfssh

Segmentation fault vasp 5 (serial version)

#1 Post by zrfssh » Sun Jan 30, 2011 8:00 pm

Dear Sir,

I used intel ifort compiler 12 (Intel(R) Fortran Compiler XE 12.0 Update 2 for Linux) and GotoBLAS2 to compile vasp 5.2.2 with the following makefile

FC=ifort -static
...
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-Dkind8 -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf \
# -DRPROMU_DGEMV -DRACCMU_DGEMV

...
# parallel goto version requires sometimes -libverbs
BLAS= ../GotoBLAS2/libgoto2.a

# LAPACK, simplest use vasp.5.lib/lapack_double
LAPACK= ../vasp.5.lib/lapack_double.o

...

Afte that, the compiled vasp can run for a small cell, e.g. hcp-AlN (4 atoms). But when I use it for calculation with more atoms (32 atoms). It print out the following error message,

> vasp522
vasp.5.2.2 15Apr09 complex
POSCAR found : 2 types and 32 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...( 1 )
reading WAVECAR
entering main loop
N E dE d eps ncg rms rms(c)
Segmentation fault
>

Could you please give some suggestion?

Many thanks for your consideration of this matter.

Best,
Ruifeng
Last edited by zrfssh on Sun Jan 30, 2011 8:00 pm, edited 1 time in total.

support_vasp
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Re: Segmentation fault vasp 5 (serial version)

#2 Post by support_vasp » Tue Sep 10, 2024 2:09 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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