Hi, you have a couple of things wrong in your command line. It should be:
mpirun -n 2 cp2k.popt -i bromine.inp -o bromine.out
You need to put the mpirun first so that MPI launches the CP2K binary, rather than cp2k looking for an input file called ‘mpirun’ The input and output files also should not be in angle-brackets. Usually that’s just included in examples to make it clear you should replace those with your own values. Also, I wouldn’t particularly recommend running in the background, it’s easy to end up with various processes kicking around if you’re not careful. You can always start another terminal window if you want to do something else at the same time.
- Iain
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Iain Bethune
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