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樸誠龍鐵蟲 (初入文壇)
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[求助]
用VASP自帶的improved dimer method確認(rèn)過渡態(tài)時出錯
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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). 請問誰遇到過此問題？ 謝謝幫助。 |
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