Hello,
I am a complete beginner to compiling and linking, I need to recompile lammps and I am not sure how to interpret error messages:
Is there any advice for this? The computer I am using is CSD3 (cambridge HPC) and teir advice was that I need to recompile since they implemented a system change that breaks intel mpi.
To recompile LAMMPS all I am doing is moving to the src folder and running “make intel_cpu_intelmpi -j 20”
The errors you see are due to the intel MKL libraries that are part of the intel compiler package. Apparently, you have not loaded the corresponding scripts correctly that set the necessary environment variables or the variable names used in your machine makefile do not correspond to the names that your local intel compiler package uses. This is all very difficult to provide advice for from remote. You will need to get help from your local HPC user support.
The alternative for people with less compilation experience is to try the CMake build procedure: 3. Build LAMMPS — LAMMPS documentation
As CMake will validate any values entered and try to auto-detect a lot.
