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求助 PWSCF 的并行问题网上
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这个程序单机并行可以， 一个节点没有什么问题 但是用两个以上节点就出现以下问题， 我用的ifort 的编译器， 用的openmpi 出现如下错误 大家可以看看， 帮我解决以下问题 xiex home/liubaoshun/espresso/espresso-4.0.1/examples/example01 : starting This example shows how to use pw.x to calculate the total energy and the band structure of four simple systems: Si, Al, Cu, Ni. executables directory: /home/liubaoshun/espresso/espresso-4.0.1/bin pseudo directory: /home/liubaoshun/espresso/espresso-4.0.1/pseudo temporary directory: /usr/local/tmp checking that needed directories and files exist... done running pw.x as: /usr/local/mpich/bin/mpirun -np 5 /home/liubaoshun/espresso/espresso-4.0.1/bin/pw.x -npool 5 running bands.x as: /usr/local/mpich/bin/mpirun -np 5 /home/liubaoshun/espresso/espresso-4.0.1/bin/bands.x cleaning /usr/local/tmp... done running the scf calculation for Si... done running the band-structure calculation for Si... done running the symmetry analysis for Si bands...[node0.cluster:15896] MPI_ABORT invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 0 forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000036AB0CB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 00000036AB01DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000000374CACB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 000000374CA1DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000003C890CB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 0000003C8901DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000000378B0CB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 000000378B01DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown done cleaning /usr/local/tmp... done running the scf calculation for Al... done running the band-structure calculation for Al... done cleaning /usr/local/tmp... done running the scf calculation for Cu... done running the band-structure calculation for Cu... done running the symmetry analysis for Cu bands...[node0.cluster:15987] MPI_ABORT invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 0 forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 0000003C890CB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 0000003C8901DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000000378B0CB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 000000378B01DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000036AB0CB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 00000036AB01DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 000000374CACB7F5 Unknown Unknown Unknown bands.x 0000000000820CD0 Unknown Unknown Unknown bands.x 00000000008514DD Unknown Unknown Unknown bands.x 0000000000850944 Unknown Unknown Unknown bands.x 00000000004ABDB4 Unknown Unknown Unknown bands.x 000000000042FD08 Unknown Unknown Unknown bands.x 000000000042F982 Unknown Unknown Unknown libc.so.6 000000374CA1DAA4 Unknown Unknown Unknown bands.x 000000000042F8A9 Unknown Unknown Unknown done cleaning /usr/local/tmp... done running the scf calculation for Ni... done running the band-structure calculation for Ni... done cleaning /usr/local/tmp... done running the scf calculation for Si... done running the band-structure calculation for Si... done cleaning /usr/local/tmp... done running the scf calculation for Al... done running the band-structure calculation for Al... done cleaning /usr/local/tmp... done running the scf calculation for Cu... done running the band-structure calculation for Cu... done cleaning /usr/local/tmp... done running the scf calculation for Ni... done running the band-structure calculation for Ni... done 我各个庫的路径都给好 但是问题依旧 网上全是英文， 难的 |
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