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[求助]
vasp并行編譯通過,運(yùn)行卻出現(xiàn)錯(cuò)誤提示
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vasp并行編譯通過,但是在運(yùn)行的時(shí)候出現(xiàn)錯(cuò)誤提示是: vasp: error while loading shared libraries: libguide.so: cannot open shared object file: No such fie or directory vasp: error while loading shared libraries: libguide.so: cannot open shared object file: No such fie or directory vasp: error while loading shared libraries: libguide.so: cannot open shared object file: No such fie or directory vasp: error while loading shared libraries: libguide.so: cannot open shared object file: No such fie or directory vasp: error while loading shared libraries: libguide.so: cannot open shared object file: No such fie or directory vasp: error while loading shared libraries: libguide.so: cannot open shared object file: No such fie or directory mpiexec: Warning: tasks 0-7 exited with status 127. 該怎么辦,請(qǐng)幫忙,謝謝! |
銅蟲 (小有名氣)
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并不是你編譯的時(shí)候沒有指定libguide庫(kù)。而是你運(yùn)行vasp時(shí),可執(zhí)行文件鏈接不到這個(gè)庫(kù)。這種情況需要修改環(huán)境變量,在bash中,輸入 export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/(libguide庫(kù)的路徑)/ 不過你的情況不一樣,估計(jì)你使用的mkl版本較高,已經(jīng)不提供libguide這個(gè)庫(kù)了。intel網(wǎng)站上有過說明“Since the Intel IPP® 6.0 and Intel® MKL 10.1, the OpenMP libraries ( also called Threading Runtime Libraries) are switching from the legacy OpenMP* run-time library (libguide*) to the compatibility library (libiomp*).”。 按道理說,你在編譯的時(shí)候就會(huì)因?yàn)檎也坏竭@個(gè)庫(kù)而報(bào)錯(cuò)終止了。現(xiàn)在比較可行的辦法是重新編譯vasp,將libguide庫(kù)改成libomp*。(具體的名字在mkl里面找找看) |

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謝謝回復(fù),后來我在另外一路徑,比如/opt/intel/Compiler/11.1/lib/intel64下找到了libguide庫(kù),加上路徑編輯通過,運(yùn)行還是同樣的問題。 今天把lguide 換成libiomp5,編譯,編譯通過,運(yùn)行也是同樣的問題。 現(xiàn)在有個(gè)問題就是為什么系統(tǒng)里的intel庫(kù)總是會(huì)有好幾個(gè)。路徑不一樣,比如我要用的libguide.so、libiomp5.so在/opt/intel/Compiler/11.1/lib/intel64下,而比如說libmkl_intel_lp64,libmkl_intel_core,libmkl_intel_thread 卻在/opt/intel/Compiler/11.1/mkl/ib/em64t 下。弄得在編譯的時(shí)候路徑要寫很多。按您說的在.bash_profile里加入libguide.so路徑,(export LD_LIBRARY_PATH=$LD_LIBRARY_PATH),結(jié)果libmkl_intel_lp64.so就找不到了,再加上libmkl_intel_lp64.so路徑,結(jié)果libguide.so又找不到。郁悶得不了。 |
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