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fjlanx2銅蟲(chóng) (初入文壇)
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[求助]
vasp4.6異常終止 killed by signal 9
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最近用vasp4.6算supercell時(shí)，靜態(tài)計(jì)算沒(méi)問(wèn)題，算dos時(shí)老是報(bào)錯(cuò) 提交作業(yè)命令是：mpirun -r ssh -f mach -n 24 /home/software/vasp.p 報(bào)錯(cuò)信息是： running on 24 nodes distr: one band on 1 nodes, 24 groups vasp.4.6.34 5Dec07 complex POSCAR found : 2 types and 21 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 an extremely accurate calculations keep the | | reciprocal projection scheme (i.e. LREAL=.FALSE.) | | | ----------------------------------------------------------------------------- LDA part: xc-table for Pade appr. of Perdew WARNING: stress and forces are not correct POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ... 1 reading WAVECAR charge-density read from file: Cubic rank 16 in job 1 node2_43261 caused collective abort of all ranks exit status of rank 16: killed by signal 9 rank 11 in job 1 node2_43261 caused collective abort of all ranks exit status of rank 11: killed by signal 9 rank 0 in job 1 node2_43261 caused collective abort of all ranks exit status of rank 0: killed by signal 9 mach文件是： node1 node2 node3 問(wèn)下蟲(chóng)子們，到底是哪里出問(wèn)題了，萬(wàn)分感謝 |
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