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【求助】Segmentation fault
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裝好了vasp5,從網(wǎng)上下載了例子,可第一個跑的例子就發(fā)生錯誤啦。(跑benchmark還沒問題),我是用intel的ifort-11和mpich2編譯的,那位有類似的經(jīng)驗,可以分享下嘛?(后來發(fā)現(xiàn)并不是每個例子都會報錯,第一個報錯啦,后面幾個沒報錯) 萬分感謝啊。 running on 1 nodes distr: one band on 1 nodes, 1 groups vasp.5.2.8 07Jul10 complex POSCAR found : 1 types and 1 ions LDA 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 ) reading WAVECAR WARNING: random wavefunctions but no delay for mixing, default for NELMDL entering main loop N E dE d eps ncg rms rms(c) Segmentation fault [ Last edited by enola on 2010-12-29 at 17:40 ] |
vasp編譯問題集錦 |
» 搶金幣啦!回帖就可以得到:
+3/1685
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首先確認一下你的內(nèi)存是否足夠,其次,作為嘗試: 1.把cutoff取小點試試 2.把k點減少再試試 如果能跑起來,基本上就是編譯器的問題了 以前的帖子里有討論這個問題,編譯時修改一個參數(shù),在FFLAGS里加-heap-arrays 64試試看 [ Last edited by hakuna on 2010-12-31 at 09:14 ] |
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