| 查看: 169 | 回复: 0 | |||
| 当前主题已经存档。 | |||
[交流]
求助 PWSCF 的并行问题网上
|
|||
|
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 |
回复此楼» 猜你喜欢
有院领导为了换新车，用横向课题经费买了俩车
已经有8人回复
-
博士延得我，科研能力直往上蹿
已经有8人回复
-
酰胺脱乙酰基
已经有12人回复
-
同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗
已经有4人回复
-
有时候真觉得大城市人没有县城人甚至个体户幸福
已经有10人回复
-
天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人）
已经有5人回复
-
CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优
已经有6人回复
-
面上项目申报
已经有3人回复
-
遇见不省心的家人很难过
已经有22人回复