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enola捐助貴賓 (正式寫手)
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[交流]
【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(gè)跑的例子就發(fā)生錯(cuò)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(yàn),可以分享下嘛?(后來發(fā)現(xiàn)并不是每個(gè)例子都會報(bào)錯(cuò),第一個(gè)報(bào)錯(cuò)啦,后面幾個(gè)沒報(bào)錯(cuò)) 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:
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首先確認(rèn)一下你的內(nèi)存是否足夠,其次,作為嘗試: 1.把cutoff取小點(diǎn)試試 2.把k點(diǎn)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(gè)問題,編譯時(shí)修改一個(gè)參數(shù),在FFLAGS里加-heap-arrays 64試試看 [ Last edited by hakuna on 2010-12-31 at 09:14 ] |
捐助貴賓 (正式寫手)
榮譽(yù)版主 (文壇精英)
捐助貴賓 (正式寫手)
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sorry, only can input english: 1. first check the size of the stack ulimit -a set ulimit statck to unlimited. if it works, then congs, the problem solved, ########################### core file size (blocks, -c) unlimited data seg size (kbytes, -d) unlimited scheduling priority (-e) 20 file size (blocks, -f) unlimited pending signals (-i) 16382 max locked memory (kbytes, -l) 64 max memory size (kbytes, -m) unlimited open files (-n) 1024 pipe size (512 bytes, -p) 8 POSIX message queues (bytes, -q) 819200 real-time priority (-r) 0 stack size (kbytes, -s) unlimited cpu time (seconds, -t) unlimited max user processes (-u) unlimited virtual memory (kbytes, -v) unlimited file locks (-x) unlimited ################################## else you have to check your compiling. |
金蟲 (小有名氣)
金蟲 (小有名氣)
捐助貴賓 (正式寫手)
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intel的編譯器干活的,當(dāng)體系一大,剛進(jìn)入主循環(huán)就會退出來,并提示上面的錯(cuò)誤!前面提到降低截?cái)嗄、減少K點(diǎn)主要是降低內(nèi)存的消耗,如果是這樣的的話,那便是內(nèi)存溢出了,原因在于編譯時(shí)INTEL默認(rèn)將緩存寫在堆棧里,堆棧小時(shí)便會出現(xiàn)上述錯(cuò)誤,你可以嘗試在編譯VASP時(shí),在FFLAGS里加上參數(shù)-heap-arrays 64試試看,如果還不行的話,就換一下編譯器, 類似帖子 http://www.gaoyang168.com/bbs/viewthread.php?tid=2493388&fpage=1 |
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