How to install LAMMPS and VMD for Molecular Simulations in Ubuntu | Step-by-Step Tutorial 2024

[@SparkingNebula]

9:08 The following error occured: ERROR: Unrecognized fix style 'temp/csvr' is part of the EXTRA-FIX package which is not enabled in this LAMMPS binary. (src/modify.cpp:924) Last command: fix 1 all temp/csvr ${temperature} ${temperature} ${tempDamp} ${seed} # Bussi's thermostat

[@kaushikkunte4266]

I am trying to use 8 feb 2023 version where I want to use all packages how to enable all packages?

[@kaushikkunte4266]

also how to do mpi installation with cmake?

[@MolecularMindset]

Hi, thank you for your message. To enable all packages during istallation you can use the traditional make instead of using Cmake. For this go to the lammps/src folder and run the commands: ``` make yes-all make ``` Additional information here: docs.lammps.org/Build_package.html Let me know if you are any other questions!

[@MolecularMindset]

Make sure you have mpich on your machine and it should be added automatically during installation. You can also add the flag "-D BUILD_MPI=yes" to your cmake command. Additional info: molecularmindset.com/how-to-install-lammps-on-ubuntu-a-comprehensive-tutorial docs.lammps.org/Build_basics.html