I am trying to run SCF calculations in BURAI. I installed BURAI in Ubuntu with this tutorialhttps://www.youtube.com/watch?v=_V69D-FjGps
When I try to run SCF calculations with this command: /usr/bin/mpirun -np 4 pw.x -in espresso.in
, I get this error:
pw.x: error while loading shared libraries: libmpi_mpifh.so.12: cannot open shared object file: No such file or directorypw.x: error while loading shared libraries: libmpi_mpifh.so.12: cannot open shared object file: No such file or directorypw.x: error while loading shared libraries: libmpi_mpifh.so.12: cannot open shared object file: No such file or directory--------------------------------------------------------------------------Primary job terminated normally, but 1 process returneda non-zero exit code. Per user-direction, the job has been aborted.--------------------------------------------------------------------------pw.x: error while loading shared libraries: libmpi_mpifh.so.12: cannot open shared object file: No such file or directory
I found someone with the same problem with a different application here: https://stackoverflow.com/a/49418516/20656772
This was the explanation:
libmpi_mpifh.so.12 is provided by Open MPI v1.10.
Note this version is no more supported. Open MPI supported versions are currently :
v2.1 that provides libmpi_mpifh.so.20
v3.0 provides libmpi_mpifh.so.40
I suggest you first check which version of Open MPI you installed via apt-get. If it is v1.10, then check where the libs are installed (you might need to set your LD_LIBRARY_PATH if the libs are not in a standard location, or use a module if your distro support it). If it is a newer version, then your best bet is to recompile your application.
I have a newer version of Open MPI (4.1.2), and I have libmpi_mpifh.so.40 installed, but I don't know how to recompile BURAI (source code here: https://github.com/BURAI-team/burai/tree/master
). I tried to reinstall it, but that didn't work. Does anyone have any suggestions?