标题: orca计算单点报错 [打印本页] 作者Author: tcl2019 时间: 2021-6-16 17:00 标题: orca计算单点报错 有没有大佬知道用orca计算二聚体单点能时，出现下面报错应该怎么办
Closing buffer AOJ (38.63 GB; CompressionRatio= 1.00)
Collecting buffer AOJ
... done with AO integral generation
Number of MO pairs included in the trafo ... 216811
... Now sorting integrals
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mpirun noticed that process rank 2 with PID 0 on node octa-1-5 exited on signal 9 (Killed).
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ORCA finished by error termination in MDCI
Calling Command: mpirun -np 8 /share/apps/orca 4.2.1_shared_216/orca_mdci_mpi /479418/ccsd_atz_1.mdciinp.tmp /scratch/tianchunlei/479418/arg_occ_1.00_ccsd_atz_1
[file orca_tools/qcmsg.cpp, line 458]:
.... aborting the run
