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
Five failing dec Tests when using MPI
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