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标题: 在服务器上进行reaxff模拟时，服务器只能开到12核，开高核就出现报错 [打印本页]

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Author: kidult 时间: 2025-7-29 14:43
标题: 在服务器上进行reaxff模拟时，服务器只能开到12核，开高核就出现报错
不论是在windows系统，还是linux系统，开高核都会出现下面报错，是服务器本身的原因吗？
windows系统开64核 32核都会出现以下错误
job aborted:ranks] message
[0-28] terminated
[29] application aborted
aborting MPI COMM WORLD(comm=0x44000000),error 1,comm rank 29
[30-47] terminated
error analysis
[29] on DESKTOP-B8GPVEF1mp aborted the job. abort code 1
error analysis

linux系统上同样会出现类似错误
ERROR on proc 36:step 32629: hbondchk failed: H=226 end(H)=1315370576 str(H+1)=4655(../reaxff forces.cpp:119)
ast command:run
500000
MPI ABORT was invoked on rank 36 in communicatOr MPI COMM WORLD
with errorcode 1.
NOTE: invoking MPI ABORT causes open MPI to kill all MPI processesYou may or may not see output from other processes, depending onexactly when open MPI kills them.

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