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mpi error in wave.f90

Posted: Tue Oct 09, 2007 10:27 pm
by ng
Hi,
Have compiled with ifx90_r on ibm blue gene (AIX). On excecution I get
vasp.4.6.21 23Feb03 complex
POSCAR found : 2 types and 4 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
ERROR: 0031-250 task 0: Trace/BPT trap

which I can trace with dbx:
dbx ../vasp.4.6/vasp coredir.0/core
Type 'help' for help.
warning: The core file is not a fullcore. Some info may
not be available.
[using memory image in coredir.0/core]
reading symbolic information ...warning: "/usr/lib/libxlsmp.a(smprt.o)" has changed since core creation


Trace/BPT trap in wave.__wave_NMOD__&&_wave.__wave_NMOD_ni_local at line 242 in file "../vasp.4.6/wave.f90"
242 NODE_TARGET=MOD(NI-1, COMM%NCPU)+1

This looks like an array bounds problem but I am a little unsure as to where... any comment on what exactly this might be due to would be welcome.




Update - this was due to the fft3d files not being in the mpi version - sorry for the post ;)
<span class='smallblacktext'>[ Edited ]</span>

Re: mpi error in wave.f90

Posted: Wed Sep 04, 2024 12:07 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