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【求助】vasp错误，求助
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running on 12 nodes distr: one band on 1 nodes, 12 groups vasp.5.2.2 15Apr09 complex POSCAR found : 3 types and 130 ions ----------------------------------------------------------------------------- | | | ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): | | | | You have a (more or less) 'large supercell' and for larger cells | | it might be more efficient to use real space projection operators | | So try LREAL= Auto in the INCAR file. | | Mind: If you want to do a very accurate calculations keep the | | reciprocal projection scheme (i.e. LREAL=.FALSE.) | | | ----------------------------------------------------------------------------- LDA part: xc-table for Pade appr. of Perdew POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ...( 3 ) reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) rank 11 in job 1 node03_42507 caused collective abort of all ranks exit status of rank 11: killed by signal 11 rank 8 in job 1 node03_42507 caused collective abort of all ranks exit status of rank 8: killed by signal 11 rank 5 in job 1 node03_42507 caused collective abort of all ranks exit status of rank 5: killed by signal 11 rank 2 in job 1 node03_42507 caused collective abort of all ranks exit status of rank 2: killed by signal 11 提交任务失败，请大家帮忙看看什么原因 |
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