Nwchem problems in Ubuntu 20.04 LTS when it runs in parallel.

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Hi all

I have compiled Nwchem under the new linux Ubuntu-20.04. with Openblas 32 and 64 bit that I have installed from the Ubuntu repository. I have perform some compilation tests with the Openblas 32bit and then 64bit library. Once compiled I did optimization tests on a small molecule (Methylamine)

The program worked correctly in serial mode with 32 and 64 bit openblas library:

$ nwchem methylamine,nw > methylamine.out

Task times cpu: 513.8s wall: 149.9s

But it failed in parallel mode:

$ mpirun -np 8 nwchem methylamine.nw > methylamine.out

The calculation runs indefinitely and I have to stop aborting it. In the output file everything stops at the part that says the following:

                          NWChem Geometry Optimization

                          Methylamine Opt B3LYP/6-31G*

Ubuntu 20.04 LTS

gcc version 9.3.0
gfortran version 9.3.0
libopenmpi version 4.0.3
libopenblas, libopenblas64 serial and parallel version 0.3.8