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小小鑫000鐵蟲 (小有名氣)
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[求助]
vasp計算突然停止了，求助高手！ 已有2人參與
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各位前輩，大家好： 在超算中心提交任務(wù)后，經(jīng)常vasp計算會突然異常停止，出現(xiàn)以下情況： 3 F= -.12797723E+04 E0= -.12797364E+04 d E =-.255208E-01 mag= -0.1622 curvature: -1.43 expect dE=-0.111E-01 dE for cont linesearch -0.590E-04 trial: gam= 0.49251 g(F)= 0.780E-02 g(S)= 0.000E+00 ort = 0.768E-03 (trialstep = 0.137E+01) search vector abs. value= 0.120E-01 bond charge predicted N E dE d eps ncg rms rms(c) DAV: 1 -0.127977960786E+04 -0.72852E-02 -0.15668E+00 4536 0.144E+00 0.340E-01 RMM: 2 -0.127978989414E+04 -0.10286E-01 -0.34719E-02 4476 0.299E-01 0.149E+00 RMM: 3 -0.127978260555E+04 0.72886E-02 -0.92837E-03 4404 0.132E-01 0.314E-01 forrtl: Protocol error forrtl: severe (38): error during write, unit 8, file /home/export/base/service/service04/vasp_work_dir/TiO2-110/TiO2-Ni4-H2-1-y/OUTCAR Image PC Routine Line Source vasp5.3-mkl 0000000000D2DB9D Unknown Unknown Unknown vasp5.3-mkl 0000000000D2C6A5 Unknown Unknown Unknown vasp5.3-mkl 0000000000CD9580 Unknown Unknown Unknown vasp5.3-mkl 0000000000C8914F Unknown Unknown Unknown vasp5.3-mkl 0000000000C88982 Unknown Unknown Unknown vasp5.3-mkl 0000000000CCE42F Unknown Unknown Unknown vasp5.3-mkl 0000000000CCB877 Unknown Unknown Unknown vasp5.3-mkl 0000000000A16DA2 Unknown Unknown Unknown vasp5.3-mkl 00000000004252B2 Unknown Unknown Unknown vasp5.3-mkl 000000000040645C Unknown Unknown Unknown libc.so.6 0000003BD681D994 Unknown Unknown Unknown vasp5.3-mkl 0000000000406369 Unknown Unknown Unknown srun.sz: error: cn40217: task 0: Exited with exit code 38 srun.sz: interrupt (one more within 1 sec to abort) srun.sz: tasks 1-35: running srun.sz: task 0: exited abnormally srun.sz: sending Ctrl-C to job 5572474.0 srun.sz: Job step aborted: Waiting up to 2 seconds for job step to finish. slurmd[cn40540]: *** STEP 5572474.0 KILLED AT 2014-07-31T20:59:44 WITH SIGNAL 9 *** slurmd[cn40217]: *** STEP 5572474.0 KILLED AT 2014-07-31T20:59:44 WITH SIGNAL 9 *** slurmd[cn40539]: *** STEP 5572474.0 KILLED AT 2014-07-31T20:59:44 WITH SIGNAL 9 *** 前輩們，你們遇到過這樣的情況嗎，這是怎么回事呀？ |
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