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laplacetalor银虫 (小有名气)
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[交流]
【求助】VASP并行计算疑问
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我用1个节点4个核并行计算，每个核用内存和串行的一模一样，怎么感觉像是4个一样的串行任务，OSZICAR如下，请高手指点，谢谢！ running on 1 nodes distr: one band on 1 nodes, 1 groups running on 1 nodes distr: one band on 1 nodes, 1 groups running on 1 nodes distr: one band on 1 nodes, 1 groups vasp.5.2.2 15Apr09 complex running on 1 nodes distr: one band on 1 nodes, 1 groups vasp.5.2.2 15Apr09 complex vasp.5.2.2 15Apr09 complex vasp.5.2.2 15Apr09 complex POSCAR found : 2 types and 2 ions POSCAR found : 2 types and 2 ions POSCAR found : 2 types and 2 ions POSCAR found : 2 types and 2 ions LDA part: xc-table for Pade appr. of Perdew LDA part: xc-table for Pade appr. of Perdew LDA part: xc-table for Pade appr. of Perdew LDA part: xc-table for Pade appr. of Perdew POSCAR, INCAR and KPOINTS ok, starting setup POSCAR, INCAR and KPOINTS ok, starting setup WARNING: small aliasing (wrap around) errors must be expected WARNING: small aliasing (wrap around) errors must be expected POSCAR, INCAR and KPOINTS ok, starting setup POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ...( 1 ) FFT: planning ...( 1 ) reading WAVECAR WARNING: small aliasing (wrap around) errors must be expected reading WAVECAR WARNING: small aliasing (wrap around) errors must be expected FFT: planning ...( 1 ) FFT: planning ...( 1 ) reading WAVECAR reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) entering main loop N E dE d eps ncg rms rms(c) entering main loop N E dE d eps ncg rms rms(c) entering main loop N E dE d eps ncg rms rms(c) DAV: 1 0.687254296603E+02 0.68725E+02 -0.56597E+03 2632 0.774E+02 DAV: 1 0.687254296603E+02 0.68725E+02 -0.56597E+03 2632 0.774E+02 DAV: 1 0.687254296603E+02 0.68725E+02 -0.56597E+03 2632 0.774E+02 DAV: 1 0.687254296603E+02 0.68725E+02 -0.56597E+03 2632 0.774E+02 DAV: 2 -0.196290672018E+01 -0.70688E+02 -0.67113E+02 2956 0.187E+02 DAV: 2 -0.196290672018E+01 -0.70688E+02 -0.67113E+02 2956 0.187E+02 DAV: 2 -0.196290672018E+01 -0.70688E+02 -0.67113E+02 2956 0.187E+02 DAV: 2 -0.196290672018E+01 -0.70688E+02 -0.67113E+02 2956 0.187E+02 DAV: 3 -0.536291836931E+01 -0.34000E+01 -0.33873E+01 3286 0.440E+01 DAV: 3 -0.536291836931E+01 -0.34000E+01 -0.33873E+01 3286 0.440E+01 DAV: 3 -0.536291836931E+01 -0.34000E+01 -0.33873E+01 3286 0.440E+01 DAV: 3 -0.536291836931E+01 -0.34000E+01 -0.33873E+01 3286 0.440E+01 DAV: 4 -0.542306476325E+01 -0.60146E-01 -0.60143E-01 3868 0.617E+00 DAV: 4 -0.542306476325E+01 -0.60146E-01 -0.60143E-01 3868 0.617E+00 DAV: 4 -0.542306476325E+01 -0.60146E-01 -0.60143E-01 3868 0.617E+00 DAV: 4 -0.542306476325E+01 -0.60146E-01 -0.60143E-01 3868 0.617E+00 DAV: 5 -0.542318906898E+01 -0.12431E-03 -0.12430E-03 3388 0.251E-01 0.742E+00 DAV: 5 -0.542318906898E+01 -0.12431E-03 -0.12430E-03 3388 0.251E-01 0.742E+00 DAV: 5 -0.542318906898E+01 -0.12431E-03 -0.12430E-03 3388 0.251E-01 0.742E+00 DAV: 6 -0.565057655672E+01 -0.22739E+00 -0.29359E+00 2752 0.333E+01 0.279E+00 DAV: 6 -0.565057655672E+01 -0.22739E+00 -0.29359E+00 2752 0.333E+01 0.279E+00 DAV: 5 -0.542318906898E+01 -0.12431E-03 -0.12430E-03 3388 0.251E-01 0.742E+00 DAV: 6 -0.565057655672E+01 -0.22739E+00 -0.29359E+00 2752 0.333E+01 0.279E+00 DAV: 7 -0.555491074378E+01 0.95666E-01 -0.68665E-01 2776 0.203E+01 0.550E-01 DAV: 7 -0.555491074378E+01 0.95666E-01 -0.68665E-01 2776 0.203E+01 0.550E-01 DAV: 7 -0.555491074378E+01 0.95666E-01 -0.68665E-01 2776 0.203E+01 0.550E-01 DAV: 6 -0.565057655672E+01 -0.22739E+00 -0.29359E+00 2752 0.333E+01 0.279E+00 DAV: 8 -0.555500855207E+01 -0.97808E-04 -0.20699E-02 3004 0.101E+00 0.337E-01 DAV: 8 -0.555500855207E+01 -0.97808E-04 -0.20699E-02 3004 0.101E+00 0.337E-01 DAV: 8 -0.555500855207E+01 -0.97808E-04 -0.20699E-02 3004 0.101E+00 0.337E-01 DAV: 7 -0.555491074378E+01 0.95666E-01 -0.68665E-01 2776 0.203E+01 0.550E-01 |
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2楼2010-01-19 14:46:58
laplacetalor
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3楼2010-01-19 15:24:18
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4楼2010-01-19 15:25:18
laplacetalor
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5楼2010-01-19 15:35:47
ice_rain
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6楼2010-01-20 12:55:13