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[求助]
MS DMOL3模块计算报错
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=============================================================== Materials Studio DMol^3 version 5.0 compiled on Oct 22 2009 01:13:09 =============================================================== =============================================================== Density Functional Theory Electronic Structure Program Copyright (c) 2009, Accelrys Inc. All rights reserved. Cite work using this program as: B. Delley, J. Chem. Phys. 92, 508 (1990). B. Delley, J. Chem. Phys. 113, 7756 (2000). DMol^3 is available as part of Materials Studio. =============================================================== DATE: May 16 15:45:02 2012 This run uses 2 processors Signal Caught: 15 libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. HP-MPI licensed for Accelrys. Host 0 -- ip 1.0.0.4 -- ranks 0 - 1 host | 0 ======|====== 0 : SHM Prot - All Intra-node communication is: SHM mkdir: 无法创建目录 “/usr/tem”: 权限不够 /bin/cp: 目标 “/usr/tem/d253311051615” 不是目录 forrtl: No such file or directory forrtl: severe (29): file not found, unit 91, file /usr/tem/d253311051615/reactant_opt.summ Image PC Routine Line Source dmol3_mpi.exe 0000000001174D41 Unknown Unknown Unknown dmol3_mpi.exe 0000000001173D15 Unknown Unknown Unknown dmol3_mpi.exe 00000000010C552A Unknown Unknown Unknown dmol3_mpi.exe 000000000106FEA5 Unknown Unknown Unknown dmol3_mpi.exe 000000000106F69A Unknown Unknown Unknown dmol3_mpi.exe 0000000001084480 Unknown Unknown Unknown dmol3_mpi.exe 0000000000412B72 Unknown Unknown Unknown dmol3_mpi.exe 00000000004105FE Unknown Unknown Unknown dmol3_mpi.exe 000000000041056C Unknown Unknown Unknown libc.so.6 000000314541D8B4 Unknown Unknown Unknown dmol3_mpi.exe 000000000041049A Unknown Unknown Unknown MPI Application rank 1 exited before MPI_Finalize() with status 29 DMol3.pl message: DMol3 job finished in 是什么原因，如何处理 |
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