vasp_std: error while loading shared libraries: libqdmod.so.0: cannot open shared object file: No such file or directory
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Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
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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