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running HelloArgonFortran

Posted: Fri May 01, 2020 2:37 pm
by ommairishaque
Hi All,


I am trying to run HelloArgonFortran but after successful compilation I am getting following error. Can anyone guide how to resolve it
I am doing it in following way

make
./HelloArgonInFortran

./HelloArgonInFortran: error while loading shared libraries: libOpenMM.so: cannot open shared object file: No such file or directory

I need to resolve it because i have written my code in fortran95 and want to make interface with openmm

I have tested my installation is fine by running tip4pEW with amber force field using python script.

best
Ommair

Re: running HelloArgonFortran

Posted: Fri May 01, 2020 2:59 pm
by peastman
You need to add OpenMM's lib directory to your library path. On Linux that might look like this:

Code: Select all

export LD_LIBRARY_PATH=/usr/local/openmm/lib:$LD_LIBRARY_PATH
Fill in the correct location where OpenMM is installed, of course.