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朴诚龙

铁虫 (初入文坛)

应助: 0 (幼儿园)
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在线: 33.4小时
虫号: 3079749
注册: 2014-03-19
性别: GG
专业: 凝聚态物性 II ：电子结构

[求助] 用VASP自带的improved dimer method确认过渡态时出错

RMM:  36 -0.404763247155E+02 -0.22430E-03 -0.16106E-05 101 0.119E-02 0.289E-02
RMM:  37 -0.404764179422E+02 -0.93227E-04 -0.92336E-06 94 0.108E-02
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
1 F= -.40476418E+02 E0= -.40476418E+02  d E =-.404764E+02  mag=    5.9877
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 53, file

/home//MEP_T/TS_F1/dimer/IDM/DIMERDIRECTION
Image             PC             Routine          Line       Source
vasp             0000000000BFE43D  Unknown             Unknown  Unknown
vasp             0000000000BFCF45  Unknown             Unknown  Unknown
vasp             0000000000B90F09  Unknown             Unknown  Unknown
vasp             0000000000B40D0F  Unknown             Unknown  Unknown
vasp             0000000000B40542  Unknown             Unknown  Unknown
vasp             0000000000B5111D  Unknown             Unknown  Unknown
vasp             00000000007B2CAB  Unknown             Unknown  Unknown
vasp             00000000007AEB34  Unknown             Unknown  Unknown
vasp             0000000000453C7B  Unknown             Unknown  Unknown
vasp             000000000042B95C  Unknown             Unknown  Unknown
libc.so.6       0000003300A1D994  Unknown             Unknown  Unknown
vasp             000000000042B869  Unknown             Unknown  Unknown
forrtl: severe (29): file not found, unit 53, file

mpirun has exited due to process rank 1 with PID 18164 on
node node45 exiting improperly. There are two reasons this could occur:

1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.

2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).

请问谁遇到过此问题？
谢谢帮助。

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