running HelloArgonFortran

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Ommair Ishaque
Posts: 11
Joined: Sun Feb 18, 2018 10:22 am

running HelloArgonFortran

Post by Ommair Ishaque » Fri May 01, 2020 2:37 pm

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

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Peter Eastman
Posts: 2594
Joined: Thu Aug 09, 2007 1:25 pm

Re: running HelloArgonFortran

Post by Peter Eastman » Fri May 01, 2020 2:59 pm

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.

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