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yq2240711金蟲 (正式寫手)
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[交流]
【求助】幫我看一下lev00處理VASP電子密度的問題
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[root@localhost E_k1]# lev00.comp ....... Now working directory is /TOOLS Compiling lev .... g77 -c -g lev00.f lev00.inc: In program `lev_real_function_calculation': lev00.inc:14: common /UC/ TI(3,NIONS),QradI(NIONS),NspN(NSPEC),Mendel(NSPEC), ^ Zero-size array at (^) lev00.inc:14: common /UC/ TI(3,NIONS),QradI(NIONS),NspN(NSPEC),Mendel(NSPEC), ^ Zero-size array at (^) lev00.inc:15: , atom_species(NIONS),Species(NSPEC) ^ Zero-size array at (^) lev00.inc:20: common /core/ Z_atom(NSPEC) ^ Zero-size array at (^) lev00.f:57: dimension PSI2(NKPTS,NBANDS,Ntask0),RWIGS(NSPEC) ^ Zero-size array at (^) lev00.f: Outside of any program unit: In file included from lev00.f:24: lev00.inc:20: size of variable `core_' is too large make: *** [lev00.o] Error 1 .......And now working directory is /yang/DiamondSi/5E_k/E_k1 Copying lev and psi2 to your current working directory ... mv /TOOLS/lev00 . mv: can't stat source /TOOLS/lev00 Done! size: lev00: 沒有那個(gè)文件或目錄 我在產(chǎn)生了param.inc后,再運(yùn)行l(wèi)ev00.comp產(chǎn)生lev00時(shí),出現(xiàn)在了如上述錯(cuò)誤提示,請(qǐng)問是什么原因?(注:我在其它文件夾下做的時(shí)候,沒有問題,僅在做能帶計(jì)算的自洽與非自洽計(jì)算的結(jié)果中出現(xiàn)這樣的錯(cuò)誤) [ Last edited by yq2240711 on 2009-11-16 at 14:50 ] |
木蟲 (小有名氣)
金蟲 (正式寫手)
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