On Tue, Dec 01, 2020, Sruthi Sudhakar wrote:
>
>We have newly installed AMBER18 in our ubuntu 19.10 system. When we tried
>to run simulation, pmemd and sander runs fine but I get the following error
>in pmemd.cuda
>pmemd.cuda: error while loading shared libraries: libgfortran.so.4: cannot
>open shared object file: No such file or directory
What version of gcc/gfortran are you using? Do you have more than one
version installed on your computer? Did you compile pmemd.cuda at the
same time that you compiled pmemd?
Look in your /usr/lib/x86_64-linux-gnu folder: what files there start
with libgfortran?
It's not clear how this arose, but it seems likely that you have some
component that was compiled with a different version of gfortran than
the one used for pmemd itself. That seems odd, but maybe someone on the
list will have ideas here.
You can try the following:
sudo apt-get install libgfortran4
This might fix the problem without explaining it.
...dac
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Received on Tue Dec 01 2020 - 06:30:08 PST
