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木虫 (小有名气)

[交流] 【求助】计算出错 已有1人参与

请高人指点一下,用的Ms5.5的castep
Error in geom_get_forces - electronic_minimisation of current_cell failed
Current trace stack:
geom_get_forces
geom_BFGS
geometry_optimise
castep
Error in geom_get_forces - electronic_minimisation of current_cell failed
Current trace stack:
geom_get_forces
geom_BFGS
geometry_optimise
castep
OMP: Warning #2: Cannot open message catalog "2052\libiomp5ui.dll":
OMP: System error #126: 找不到指定的模块。
OMP: Info #3: Default messages will be used.
OMP: Warning #2: Cannot open message catalog "2052\libiomp5ui.dll":
OMP: System error #126: 找不到指定的模块。
OMP: Info #3: Default messages will be used.
MPI Application rank 1 exited before MPI_Finalize
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dyc_2008

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小木虫(金币+0.5):给个红包,谢谢回帖交流
zzy870720z(金币+1): 谢谢交流 2011-03-31 17:29:45
电脑不会骗您,它说没找到,就真的是没有找到。所以,您的软件是不完整的。要是VASP 还说是编译的问题,MS报错,真少见。
一布福田,二修菩提
2楼2011-03-31 17:05:34
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