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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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stractor

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[交流] 【求助】(已解决)下面这是VASP的错误还是服务器出错

我用VASP中的NEB计算过渡态,设置了4个image(不包括初态和终态),用PBS提交任务,采用的是2个节点,每个节点2个CPU,出现如下错误
将接点改为2个,每个接点2个CPU遇到这样的问题
[node10:05124] *** An error occurred in MPI_Cart_create
[node10:05124] *** on communicator MPI_COMM_WORLD
[node10:05124] *** MPI_ERR_ARG: invalid argument of some other kind
[node10:05124] *** MPI_ERRORS_ARE_FATAL (goodbye)
[node10:05125] *** An error occurred in MPI_Cart_create
[node10:05125] *** on communicator MPI_COMM_WORLD
[node10:05125] *** MPI_ERR_ARG: invalid argument of some other kind
[node10:05125] *** MPI_ERRORS_ARE_FATAL (goodbye)
[node9:05877] *** An error occurred in MPI_Cart_create
[node9:05878] *** An error occurred in MPI_Cart_create
[node9:05878] *** on communicator MPI_COMM_WORLD
[node9:05878] *** MPI_ERR_ARG: invalid argument of some other kind
[node9:05878] *** MPI_ERRORS_ARE_FATAL (goodbye)
[node9:05877] *** on communicator MPI_COMM_WORLD
[node9:05877] *** MPI_ERR_ARG: invalid argument of some other kind
[node9:05877] *** MPI_ERRORS_ARE_FATAL (goodbye)
这是怎么回是?节点9和10各有3个CPU被其他任务占据,怎么这里显示了接点10和9的所有CPU?

[ Last edited by stractor on 2008-12-11 at 11:05 ]
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