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nehcevol鐵蟲 (初入文壇)
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[求助]
求助VASP能帶計(jì)算的中斷原因
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我用的兩個(gè)節(jié)點(diǎn)并行計(jì)算。發(fā)現(xiàn)算能帶結(jié)構(gòu)時(shí)，到最后一步總是出錯(cuò)，是否是因?yàn)樽詈髮懭氩ê瘮?shù)需要大內(nèi)存，導(dǎo)致退出呢？ 具體log如下所示： 而在OUTCAR的結(jié)尾，則可以看到如下信息 [ Last edited by nehcevol on 2013-1-26 at 13:21 ] |
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2樓2013-01-28 09:02:14
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3樓2013-01-28 09:54:11
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我也遇到類似情況，發(fā)現(xiàn)服務(wù)器內(nèi)存沒有用到多少？是不是并行環(huán)境有問題？謝謝！ DA part: xc-table for Pade appr. of Perdew POSCAR, INCAR and KPOINTS ok, starting setup WARNING: small aliasing (wrap around) errors must be expected FFT: planning ...( 1 ) WAVECAR not read entering main loop N E dE d eps ncg rms rms(c) rank 14 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 14: killed by signal 9 rank 12 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 12: killed by signal 9 rank 35 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 35: killed by signal 9 rank 29 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 29: killed by signal 9 rank 28 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 28: killed by signal 9 rank 27 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 27: killed by signal 9 rank 26 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 26: killed by signal 9 rank 25 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 25: killed by signal 11 rank 24 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 24: killed by signal 11 rank 47 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 47: killed by signal 11 rank 46 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 46: killed by signal 9 rank 45 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 45: killed by signal 9 rank 38 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 38: killed by signal 9 rank 37 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 37: killed by signal 9 rank 36 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 36: killed by signal 11 rank 11 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 11: killed by signal 9 |
4樓2013-01-28 23:45:25
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liutaifeng
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