Five failing dec Tests when using MPI

[tkjaer]

If you have compiled using MPI and you see the follwing 5 testcases fails

dectests/decmp2_density
dectests/decmp2_energy
dectests/decmp2_geoopt
dectests/decmp2_gradient
dectests/decmp2_gradient_debug

It is most likely because you have not set the DALTON_NUM_MPI_PROCS variable correctly!

The DEC code is MPI parallelized using a Global Master, Local Master, Local Slave (Task Farming) Approach and it therefore requires at least 3 MPI processors to verify that the code works.

Try

export DALTON_NUM_MPI_PROCS=3

and run these tests again with

ctest -L dec