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jiewei

专家顾问 (著名写手)

[交流] 【求助】MS5.5纳米盘上的版本不支持大于1000个原子的体系么？

RT？错误如下，我看了一下好像是license的错误

不知道有高手能解决这个问题不啊？十分感谢！

999 H          30.262430          17.980844          12.504729
      *** H          27.763349          20.997651          13.156035
      *** H          27.659009          18.953668          16.932404
      *** H          25.789467          20.370759          17.647318
      *** H          25.904947          22.426449          13.876773
      *** H          21.274176          18.771044          15.978065
      *** H          19.920769          20.081019          14.367492
      *** H          20.652661          22.348599          13.664896
      *** H          23.378201          19.704650          16.905976
      *** H          21.804883          24.644275          13.281683
      *** H          23.273251          26.646114          13.204413
      *** H          25.359453          26.721622          14.540398
      *** H          26.004816          24.803486          15.975825
      *** H          26.598820          23.079095          17.800290
      *** H          26.628277          23.831833          20.144143
      *** H          24.520897          23.886269          21.471841
      *** H          22.384079          23.189137          20.398126
      *** N          28.938552          19.052004          14.577129
      ----------------------------------------------------------------------

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 - 1

host | 0
======|======
0 : SHM

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 (59): list-directed I/O syntax error, unit 40, file /home/IAM/Accelrys/etc/Gateway/root_default/dsd/jobs/R8LB5/PF3TPA-2_C2-C.sym
Image             PC             Routine          Line       Source
dmol3_mpi.exe    00000000016D720D  Unknown             Unknown  Unknown
dmol3_mpi.exe    00000000016D5D15  Unknown             Unknown  Unknown
dmol3_mpi.exe    000000000161ED09  Unknown             Unknown  Unknown
dmol3_mpi.exe    00000000015C88F8  Unknown             Unknown  Unknown
dmol3_mpi.exe    00000000015C8108  Unknown             Unknown  Unknown
dmol3_mpi.exe    00000000015FA92E  Unknown             Unknown  Unknown
dmol3_mpi.exe    00000000015F8518  Unknown             Unknown  Unknown
dmol3_mpi.exe    000000000089635C  Unknown             Unknown  Unknown
dmol3_mpi.exe    0000000000B74C38  Unknown             Unknown  Unknown
dmol3_mpi.exe    0000000000B361CE  Unknown             Unknown  Unknown
dmol3_mpi.exe    00000000008869BE  Unknown             Unknown  Unknown
dmol3_mpi.exe    000000000058B038  Unknown             Unknown  Unknown
dmol3_mpi.exe    0000000000411D29  Unknown             Unknown  Unknown
dmol3_mpi.exe    0000000000411C4C  Unknown             Unknown  Unknown
libc.so.6       00000030F961D8A4  Unknown             Unknown  Unknown
dmol3_mpi.exe    0000000000411B7A  Unknown             Unknown  Unknown
MPI Application rank 0 exited before MPI_Finalize() with status 59

DMol3.pl message: DMol3 job finished in 0 hr 0 min 58 sec.

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