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pb3lab / ibm3202

Google Colab Tutorials for IBM3202
MIT License
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Collab can't run Gromacs #3

Closed Muzetia closed 1 year ago

Muzetia commented 1 year ago

I have done a handful of MD simulations with this method that you have kindly provided for us, and I was doing the last one that this thing happened. And I don't know how to solve it. I really need this. I'm doing my thesis with it, It would be so great if you could help me. the error is: gmx: error while loading shared libraries: libhwloc.so.5: cannot open shared object file: No such file or directory Screenshot 2023-01-18 211213

Muzetia commented 1 year ago

I installed the package like this an it worked, thank you guys.

!wget https://download.open-mpi.org/release/hwloc/v1.11/hwloc-1.11.13.tar.gz

!tar xzf hwloc-1.11.13.tar.gz
!cd /content/hwloc-1.11.13
! /content/hwloc-1.11.13/configure
!make
!sudo make install
engelberger commented 1 year ago

Thanks for reporting, I added a hwloc cell to notebook 07

https://github.com/pb3lab/ibm3202/commit/d1f3ddf3e223d16d1798d661dbb133fac639c0fc