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jiewei

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专业: 理论和计算化学
管辖: 量子化学

[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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