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[求助]
USPEX没算完就退出来怎么解决
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我刚刚使用USPEX计算 但算到一部分作业就掉下来 不知道什么原因 求指导 非常感谢 我把log粘出来 Structure6 step1 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure6 step2 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure6 step3 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure7 step1 at CalcFold1 Structure7 step2 at CalcFold1 Structure7 step3 at CalcFold1 Structure7 step4 at CalcFold1 Relaxation is done. Structure8 step1 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure8 step2 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure8 step3 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure9 step1 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure9 step2 at CalcFold1 MOLECULE FORM is not kept, see Warnings for more detials ... Structure9 step3 at CalcFold1 Structure9 step4 at CalcFold1 Relaxation is done. Structure10 step1 at CalcFold1 Structure10 step2 at CalcFold1 Structure10 step3 at CalcFold1 Structure10 step4 at CalcFold1 Relaxation is done. status = Local optimization finished rm: cannot remove `Energy_vs_N.pdf': No such file or directory rm: cannot remove `Fitness_vs_N.pdf': No such file or directory rm: cannot remove `Energy_vs_Volume.pdf': No such file or directory rm: cannot remove `E_series.pdf': No such file or directory rm: cannot remove `Variation-Operators.pdf': No such file or directory Structure 1 generated by heredity Structure 2 generated by heredity Structure 3 generated by heredity Structure 4 generated by heredity Structure 5 generated by heredity Molecular Crystal 6 built with the symmetry group 29 (Pca2_1) Molecular Crystal 7 built with the symmetry group 127 (P4/mbm) >> Submission dir copied to the current directory. |
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