Error opening gmx_MMPBSA_ana

[Isaac Silverman]

Hi,

When my energy calculations finish, the gmx_MMPBSA_ana terminal successfully opens and I am able to access data. However, I also get the following errors in the terminal. I wanted to find out if these errors are preventing me from seeing any more data that should be available. Is this an issue for me?

Please let me know. Thank you in advance.

These are the errors:

libGL error: MESA-LOADER: failed to open iris: /usr/lib/dri/iris_dri.so: cannot open shared object file: No such file or directory (search paths /usr/lib/x86_64-linux-gnu/dri:\$${ORIGIN}/dri:/usr/lib/dri, suffix _dri)
libGL error: failed to load driver: iris
libGL error: MESA-LOADER: failed to open iris: /usr/lib/dri/iris_dri.so: cannot open shared object file: No such file or directory (search paths /usr/lib/x86_64-linux-gnu/dri:\$${ORIGIN}/dri:/usr/lib/dri, suffix _dri)
libGL error: failed to load driver: iris
libGL error: MESA-LOADER: failed to open swrast: /usr/lib/dri/swrast_dri.so: cannot open shared object file: No such file or directory (search paths /usr/lib/x86_64-linux-gnu/dri:\$${ORIGIN}/dri:/usr/lib/dri, suffix _dri)
libGL error: failed to load driver: swrast

[Mario Sergio Valdes]

Do you have the driver installed?

[Isaac Silverman]

Maybe not. I just followed the download instructions on this page of the website using pip. https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/installation/#installing-gmx_mmpbsa-v15x. How could I install the driver if I don’t have it. If I didn’t have it, did it impact any results I have gotten?

Thanks

[Mario Sergio Valdes]

What OS are you using? 

You can try to update the mesa package (sudo apt install libgl1-mesa-dri). If this not works, please check the threads about this error in StackOverflow. There are several possible solutions according to your OS.

No, the calculation is independent of the analysis. You can still make the calculations and your analyses without needing the gmx_MMPBSA_ana. But, we recommend using gmx_MMPBSA_ana because it is a robust tool that centralizes all the data, charts, and analysis.

[Isaac Silverman]

I am using Gromacs-2020 on Linux. I will try to update the mesa package like you mentioned.

Even though I get this error, I still am able to access gmx_MMPBSA_ana. I am able to see line charts, bar plots, heat maps and pymol visualizations for the complex, receptor, ligand and delta. 

Do you think that I am missing anything that I cannot see because of these errors?

Right now I set my input file to give me TDC, BDC, and SDC data, but I only get TDC and SDC.  Could this error be a reason I do not see BDC?

Thank you again.

[Mario Sergio Valdes]

It's probably a problem with the driver and Intel iris graphics card. But, if you can use gmx_MMPBSA_ana, then there should be no major problem.

This we have to check because it has been reported before. Please give me some information about your system to take it into account.