On Tue, Jan 09, 2024, Kriti Shukla via AMBER wrote:
> I am trying to do QM/MM calculation using orca in
>
>In jobfile I loaded orca module version apps/orca/5.0.1 and getting slurm
>output
>*/home/apps/orca/orca_5_0_1_linux_x86-64_shared_openmpi411/orca: error
>while loading shared libraries: liborca_tools_5_0_1.so.5: cannot open
>shared object file: No such file or directory*
This looks like an ORCA problem. It may need you to load some addtional
module. Try running a simple ORCA job by hand, and see if you get the same
sort of output message.
Then do this:
ldd /home/apps/orca/orca_5_0_1_linux_x86-64_shared_openmpi411/orca
That should tell you what shared library is missing.
...dac
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Received on Tue Jan 09 2024 - 08:00:02 PST
