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zb3ynf

银虫 (初入文坛)

[求助] vasp环境变量libmkl_intel_lp64.so找不到问题 已有2人参与

请教大家,我之前成功安装好的vasp软件可以正常运行,但是在我安装了另一个计算软件后,就不能运行了,一直提示vasp: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory,然而ldd vasp可以找到相关的链接,如下
linux-vdso.so.1 =>  (0x00007fffa83ff000)
        libmkl_intel_lp64.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libmkl_intel_lp64.so (0x00002b1beda0f000)
        libmkl_sequential.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libmkl_sequential.so (0x00002b1bedf10000)
        libmkl_core.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libmkl_core.so (0x00002b1bee846000)
        libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003178e00000)
        libguide.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libguide.so (0x00002b1beed26000)
        libmpi_f90.so.1 => /opt/openmpi/lib/libmpi_f90.so.1 (0x00002b1beeef7000)
        libmpi_f77.so.1 => /opt/openmpi/lib/libmpi_f77.so.1 (0x00002b1bef0fa000)
        libmpi.so.1 => /opt/openmpi/lib/libmpi.so.1 (0x00002b1bef32e000)
        libdl.so.2 => /lib64/libdl.so.2 (0x0000003178200000)
        libm.so.6 => /lib64/libm.so.6 (0x0000003178a00000)
        librt.so.1 => /lib64/librt.so.1 (0x0000003179600000)
        libnsl.so.1 => /lib64/libnsl.so.1 (0x000000318ac00000)
        libutil.so.1 => /lib64/libutil.so.1 (0x0000003188200000)
        libc.so.6 => /lib64/libc.so.6 (0x0000003178600000)
        libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x000000317ea00000)
        /lib64/ld-linux-x86-64.so.2 (0x0000003177e00000)
        libifport.so.5 => /opt/intel/Compiler/11.1/080/lib/intel64/libifport.so.5 (0x00002b1bef6d0000)
        libifcore.so.5 => /opt/intel/Compiler/11.1/080/lib/intel64/libifcore.so.5 (0x00002b1bef80a000)
        libimf.so => /opt/intel/Compiler/11.1/080/lib/intel64/libimf.so (0x00002b1befa81000)
        libsvml.so => /opt/intel/Compiler/11.1/080/lib/intel64/libsvml.so (0x00002b1befe15000)
        libintlc.so.5 => /opt/intel/Compiler/11.1/080/lib/intel64/libintlc.so.5 (0x00002b1bf002c000)
        libifcoremt.so.5 => /opt/intel/Compiler/11.1/080/lib/intel64/libifcoremt.so.5 (0x00002b1bf016a000)
环境变量设置应该没问题,但是运行vasp就是提示找不到,但是vasp在root下可以运行,请问各位这是什么问题?
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souledge

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【答案】应助回帖

感谢参与,应助指数 +1
说明Intel的环境变量只加到了root账户。而且当ldd vasp时也是使用的root账户。
思想重于技巧,内涵重于表象
2楼2016-11-03 12:19:38
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zb3ynf

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引用回帖:
2楼: Originally posted by souledge at 2016-11-03 12:19:38
说明Intel的环境变量只加到了root账户。而且当ldd vasp时也是使用的root账户。

不是的,使用的是普通用户ldd  bin/vasp
3楼2016-11-03 13:09:44
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jpchou

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【答案】应助回帖

感谢参与,应助指数 +1
??N????????? computing node ?h??????c server node ?????
?????????? server node ????? library ??^???

echo $LD_LIBRARY_PATH

??????G vasp job ?r???? job script ?????????@??
?????GJOB??~ computing node ?????? library ????c server node ???
??????????????_?? VASP ??????????

?????@????????? job script ?????????? library path
4楼2016-11-03 17:56:15
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