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Segmentation fault vasp 5 (serial version)

Posted: Sun Jan 30, 2011 8:00 pm
by zrfssh
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

Re: Segmentation fault vasp 5 (serial version)

Posted: Tue Sep 10, 2024 2:09 pm
by support_vasp

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