cmake: add multicomp. test imc test

[junghans]

No description provided.

[junghans]

Not quite happy with this test, as it is more than a MB in size for the data files.

@DRosen285 could you

• make a system setup with less particles (the conf.gro is big)
• that uses normal LJ (functional) interactions instead of tables (tables are half of the size)
• upload a zip of the conf.gro, grompp.mdp and topol.top here
  ?

[DRosen285]

Not quite happy with this test, as it is more than a MB in size for the data files.

@DRosen285 could you

* make a system setup with less particles (the `conf.gro` is big)

* that uses normal LJ (functional) interactions instead of tables (tables are half of the size)

* upload a zip of the `conf.gro`, `grompp.mdp` and `topol.top` here
  ?

smaller_system.zip

[junghans]

Thanks, will get onto that soon!

[junghans]

It seems running mdrun is too unstable let me have a look if we can get away with a two frame trajectory.

[junghans]

Hmm, with 2 frames, I get output files full of -0.

[junghans]

Let see if it passes now, then I will rebase everything into a single commit.

[junghans]

@JensWehner please review.

@DRosen285 Thanks for the inputs, I used your setup, but I put the traj in there instead of running mdrun.

[JensWehner]

Our tests are getting longer and longer. I am happy with it. Good work