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jiewei

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小才

[交流] 【求助】唉,出现这个问题了咋办..我想了几个办法都还是不行

Note: this cell has   2 times the volume of the primitive cell


Lattice:
translation vector [a0]    1   59.954395905    0.000000000    0.000000000
translation vector [a0]    2    0.000000000   62.747789063    0.000000000
translation vector [a0]    3  -70.573223200    0.000000000   69.317256412
Cell volume       260771.920 a0^3
Signal Caught:           15
libibverbs: Fatal: couldn't open sysfs class 'infiniband_verbs'.
HP-MPI licensed for Accelrys.
Host 0 -- ip 127.0.0.1 -- ranks 0 - 3

host | 0
======|======
    0 : SHM
求解答  
Prot -  All Intra-node communication is: SHM

Checked out license feature: MS_dmol_MP [for msi] (1 copy)

Checked out license feature: MS_dsolid_MP [for msi] (1 copy)

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source            
dmol3_mpi.exe      000000000052B892  Unknown               Unknown  Unknown
dmol3_mpi.exe      00000000005186C0  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000041063B  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000041056C  Unknown               Unknown  Unknown
libc.so.6          00000030F961D8A4  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000041049A  Unknown               Unknown  Unknown
MPI Application rank 2 exited before MPI_Finalize() with status 174

DMol3.pl message: DMol3 job finished in 0 hr 0 min 59 sec.
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我想做个科学家,可我又喜欢写诗;我想做一个诗人,可我却读的理工科..
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lono75

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★ ★
qasd(金币+2):谢谢 2010-03-29 20:20
DMOL3 4.1~4.3是有BUG的,到官网上下载补丁
由天命,成人事!
2楼2010-03-27 20:11:16
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