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[求助] vasp安装环境变量设置问题libmkl_intel_lp64.so找不到 已有1人参与

环境变量设置应该没问题都找得到,
[dft@node01 101_H2O_OH_6]$ ldd /bin/vasp
        linux-vdso.so.1 =>  (0x00007ffff52c1000)
        libmkl_intel_lp64.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libmkl_intel_lp64.so (0x00002b665b2f5000)
        libmkl_sequential.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libmkl_sequential.so (0x00002b665b7f5000)
        libmkl_core.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libmkl_core.so (0x00002b665c12b000)
        libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003178e00000)
        libguide.so => /opt/intel/cmkl/10.2.7.041/lib/em64t/libguide.so (0x00002b665c60b000)
        libmpi_f90.so.1 => /opt/openmpi/lib/libmpi_f90.so.1 (0x00002b665c7dc000)
        libmpi_f77.so.1 => /opt/openmpi/lib/libmpi_f77.so.1 (0x00002b665c9e0000)
        libmpi.so.1 => /opt/openmpi/lib/libmpi.so.1 (0x00002b665cc13000)
        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 (0x00002b665cfb6000)
        libifcore.so.5 => /opt/intel/Compiler/11.1/080/lib/intel64/libifcore.so.5 (0x00002b665d0ef000)
        libimf.so => /opt/intel/Compiler/11.1/080/lib/intel64/libimf.so (0x00002b665d366000)
        libsvml.so => /opt/intel/Compiler/11.1/080/lib/intel64/libsvml.so (0x00002b665d6fb000)
        libintlc.so.5 => /opt/intel/Compiler/11.1/080/lib/intel64/libintlc.so.5 (0x00002b665d911000)
        libifcoremt.so.5 => /opt/intel/Compiler/11.1/080/lib/intel64/libifcoremt.so.5 (0x00002b665da4f000)
但是测试运行vasp一直出现找不到libmkl_intel_lp64.so 的错误提示

[dft@node01 101_H2O_OH_6]$ vasp
vasp: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory
难道是权限问题,但是那些编译器都把权限开到最大了,求助大家给些意见
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【答案】应助回帖

感谢参与,应助指数 +1
用mpirun -n 1 /bin/vasp试试
如果确实还找不到库,建议在编译时在 FFLAG 后面加 -limf -lm 这两个项,记得
2楼2016-03-23 18:56:26
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