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北京石油化工学院2026年研究生招生接收调剂公告
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wonderflyer

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[交流] 【求助】MS并行计算出错,那位遇到过

刚把CASTEP并行成功,所以提交了一个任务,但最后输出文件提示以下错误:
Starting BFGS iteration          1 ...
================================================================================
  
+------------+-------------+-------------+-----------------+ <-- min BFGS
|    Step    |   lambda    |   F.delta   |    enthalpy     | <-- min BFGS
+------------+-------------+-------------+-----------------+ <-- min BFGS
|  previous  |    0.000000 |    0.000112 |   -75896.270688 | <-- min BFGS
+------------+-------------+-------------+-----------------+ <-- min BFGS
  
Trapped SIGINT or SIGTERM. Exiting...
Trapped SIGINT or SIGTERM. Exiting...
Trapped SIGINT or SIGTERM. Exiting...
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 0 pid 18878 on host node4 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 1 pid 3593 on host node3 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 3 pid 3790 on host node1 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 2 pid 3260 on host node2 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 4 pid 9725 on host node0 to cpu 0
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
ERROR: ld.so: object 'libmpi_cpu.so' from LD_PRELOAD cannot be preloaded: ignored.
MPI Application rank 0 killed before MPI_Finalize() with signal 11
Killed by signal 15.
Killed by signal 15.
谁遇到过这种问题,该如何解决?
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