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[求助]
MS用castep结构优化出错
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本人刚刚接触第一性原理计算，很多东西还不懂，求大佬指导。用castep优化了一个简单晶胞，错误信息如下： Job started on host shao2 at Wed Nov 7 12:35:30 2018 [mpiexec@shao2] HYDU_getfullhostname (./utils/others/others.c:136): getaddrinfo error (hostname: shao2, error: Name or service not known) [mpiexec@shao2] HYDU_sock_create_and_listen_portstr (./utils/sock/sock.c:999): unable to get local hostname [mpiexec@shao2] HYD_pmci_launch_procs (./pm/pmiserv/pmiserv_pmci.c:313): unable to create PMI port [mpiexec@shao2] main (./ui/mpich/mpiexec.c:877): process manager returned error launching processes |
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