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武光食色

金虫 (小有名气)

[求助] 安装VASP5.2时出现问题,XXX.so文件not found,无法使用共享数据库

运行which vasp5.2时,显示路径,但运行时出现问题
[root@zby CdSe-25#-r31]# vasp5.2>r31&
[1] 6775
[root@zby CdSe-25#-r31]# vasp5.2: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory

[1]+  Exit 127                vasp5.2 > r31
[root@zby CdSe-25#-r31]#
在5.2文件夹里终端进行makefile时出现warning,内容如下:
rm -f vasp
mpif90 -o vasp main.o  base.o     mpi.o      smart_allocate.o      xml.o constant.o jacobi.o   main_mpi.o  scala.o asa.o      lattice.o  poscar.o   ini.o       xclib.o     xclib_grad.o radial.o   pseudo.o   mgrid.o    gridq.o     ebs.o mkpoints.o wave.o     wave_mpi.o  wave_high.o symmetry.o symlib.o   lattlib.o  random.o      nonl.o     nonlr.o    nonl_high.o dfast.o    choleski2.o mix.o      hamil.o    xcgrad.o   xcspin.o    potex1.o   potex2.o constrmag.o cl_shift.o relativistic.o LDApU.o paw_base.o metagga.o  egrad.o    pawsym.o   pawfock.o  pawlhf.o   rhfatm.o  paw.o mkpoints_full.o       charge.o   Lebedev-Laikov.o  stockholder.o dipol.o    pot.o dos.o      elf.o      tet.o      tetweight.o hamil_rot.o steep.o    chain.o    dyna.o     sphpro.o    us.o  core_rel.o aedens.o   wavpre.o   wavpre_noio.o broyden.o dynbr.o    rmm-diis.o reader.o   writer.o   tutor.o xml_writer.o brent.o    stufak.o   fileio.o   opergrid.o stepver.o chgloc.o   fast_aug.o fock.o     mkpoints_change.o sym_grad.o mymath.o   optengines.o internals.o hessian.o gadget.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o hamil_high.o nmr.o    force.o pead.o     mlwf.o     subrot.o   subrot_scf.o pwlhf.o  gw_model.o optreal.o   davidson.o  david_inner.o electron.o rot.o  electron_all.o shm.o    pardens.o  paircorrection.o optics.o   constr_cell_relax.o   stm.o    finite_diff.o elpol.o hamil_lr.o rmm-diis_lr.o  subrot_cluster.o subrot_lr.o lr_helper.o hamil_lrf.o   elinear_response.o ilinear_response.o linear_optics.o linear_response.o setlocalpp.o  wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o ump2.o bse.o acfdt.o chi.o sydmat.o   fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o  -L../vasp.5.lib -ldmy ../vasp.5.lib/linpack_double.o -L/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread  -L/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
ld: warning: libifport.so.5, needed by /opt/openmpi/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
ld: warning: libifcoremt.so.5, needed by /opt/openmpi/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
ld: warning: libimf.so, needed by /opt/openmpi/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
ld: warning: libsvml.so, needed by /opt/openmpi/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
ld: warning: libintlc.so.5, needed by /opt/openmpi/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
ldd命令时会发现libmkl_intel_lp64.so not found,XXX.so.5 not found等。
求大神指导,求解决方案!!!
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only_大师

新虫 (小有名气)

楼主问题解决了吗,我也是新手一个,想问问楼主怎么解决的,烦请告知啊,越详细越好,谢谢啊!
2楼2016-08-31 10:45:36
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