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至尊木虫 (职业作家)

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专业: 合成药物化学

[交流] 【求助】gromacs 4.0 不能并行已有1人参与

在戴尔T5400工作站（8核）上进行能量最小化时，不能并行：

One of the processes started by mpirun has exited with a nonzero exit
code. This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

PID 20492 failed on node n0 (192.168.03) with exit status 1.

错误显示为：

There is no domain decomposition for 8nodes that is compatible with the given box and a minimum

cell size of 11.6634 nm

Change the number of nodes or mdrun option -rdd or -dds

Look in the log file for details on the domain decomposition

不明白，之前跑相同的蛋白使用相同的mdp文件是没问题的，试着改变nodes数目，还是这样，请大家指点，谢谢

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