[GROMACS] 求助：gromacs中MD运行遇到System I/O error

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gugu

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发表于 Post on 2024-10-29 11:48:12 | 只看该作者 Only view this author 回帖奖励

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求助各位大佬，下面这个报错怎么解决，检查过磁盘空间是够的（D盘还有200多G）,用管理员身份运行cmder也不行
Program: gmx mdrun, version 2024.3
Source file: src/gromacs/mdlib/mdoutf.cpp (line 455)
Function: void write_checkpoint(const char*, gmx_bool, FILE*, const t_commrec*, int*, int, IntegrationAlgorithm, int, gmx_bool, LambdaWeightCalculation, int64_t, double, t_state*, ObservablesHistory*, const gmx::MDModulesNotifiers&, gmx::WriteCheckpointDataHolder*, bool, MPI_Comm)

System I/O error:
Cannot rename checkpoint file from md_0_10.cpt to md_0_10_prev.cpt; maybe you
are out of disk space?

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