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虫号: 7405945
注册: 2017-11-01
专业: 热分析与能谱分析

[交流] abinit并行运行问题求助已有1人参与

最近才入手abinit，求助~~
abinit单核可以运算，但是双核就报错；而且一直运行串行，mpirun -np 2 abinit<si.files>&log一直报错
.Version 8.4.4 of ABINIT
.(sequential version, prepared for a x86_64_linux_gnu4.8 computer)

.Copyright (C) 1998-2017 ABINIT group .
ABINIT comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read ~abinit/doc/users/acknowledgments.html for suggested
acknowledgments of the ABINIT effort.
For more information, see http://www.abinit.org .

.Starting date : Wed 29 Nov 2017.
- ( at 21h32 )


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

=== Build Information ===
  Version    : 8.4.4
  Build target  : x86_64_linux_gnu4.8
  Build date : 20171129

=== Compiler Suite ===
  C compiler    : gnu4.8
  C++ compiler    : gnu4.8
  Fortran compiler : gnu4.8
  CFLAGS          :  -g -O2 -mtune=native -march=native
  CXXFLAGS       :  -g -O2 -mtune=native -march=native
  FCFLAGS       :  -g -ffree-line-length-none  -fopenmp
  FC_LDFLAGS    :

=== Optimizations ===
  Debug level       : basic
  Optimization level : standard
  Architecture    : unknown_unknown

=== Multicore ===
  Parallel build : yes
  Parallel I/O : yes
  openMP support : yes
  GPU support : no

=== Connectors / Fallbacks ===
  Connectors on : yes
  Fallbacks on  : yes
  DFT flavor : none
  FFT flavor : none
  LINALG flavor : netlib-fallback
  MATH flavor : none
  TIMER flavor  : abinit
  TRIO flavor : none

=== Experimental features ===
  Bindings          : @enable_bindings@
  Exports          : no
  GW double-precision : no

错误内容：
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[64042,1],1]
  Exit code: 2

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