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abinit并行运行问题求助已有1人参与
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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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