VASP安装GPU版本报错:vasp_std: error while loading shared libraries: libqdmod.so.0: cannot open shared obje

vasp_std: error while loading shared libraries: libqdmod.so.0: cannot open shared object file: No such file or directory
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[63512,1],0]
  Exit code:    127

主要原因:找不到libqdmod.so.0库

解决办法:libqdmod.so.0是hpc_sdk的数据库,可能是安装hpc_sdk时数据库路径未能链接上,现介绍一种不修改数据库连接的方法:

将libqdmod.so.0库路径加入到~/.bashrc当中

libqdmod.so.0路径在/nvidia/hpc_sdk/Linux_x86_64/24.5/compilers/extras/qd/lib中

因此在vi ~/.bashrc

在最后加入

export LD_LIBRARY_PATH=/home/cheng/vasp/nvidia/hpc_sdk/Linux_x86_64/24.5/compilers/extras/qd/lib:$LD_LIBRARY_PATH

然后source ~/.bashrc

即可解决问题

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