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phys_lobster新蟲 (初入文壇)
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[求助]
VASP錯(cuò)誤信息: This process did not call "init" before exiting
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我運(yùn)行VASP時(shí)，沒有執(zhí)行，VASP就自動(dòng)中斷，并給出以下信息: -------------------------------------------------------------------------- mpirun has exited due to process rank 0 with PID 19280 on node node22 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). -------------------------------------------------------------------------- 會(huì)是什么問題呢？ 以下是我的INCAR, KPOINT and POSCAR file內(nèi)容 ---------------------------INCAR----------------------------------- SYSTEM = TlBiTe2 ENCUT = 300 ISTART = 0 ICHARG = 0 ISMEAR = 0; SIGMA = 0.1 EDIFF = 1E-6 EDIFFG = -1E-4 PREC = High ---------------------------KPOINTS----------------------------------- auto 0 G 40 40 40 0.0 0.0 0.0 ---------------------------POSCAR----------------------------------- TlBiTe2 1.0000000000 ! a=4.527 c=22.118 2.236500 0.000000 29.49066 !r=0.5a=2.2365 z=4c/3=29.49066 -1.131750 1.960249 29.49066 -1.131750 -1.960249 29.49066 Tl Bi Te 1 1 2 Direct 0.00 0.00 0.00 0.50 0.50 0.50 0.25 0.25 0.25 -0.25 -0.25 -0.25 -------------------------------------------------------------------------- 希望各位幫助我解惑 非常感謝各位! |
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