CASPT2 tests fail with two MPI tasks
I configured/compiled OpenMolcas via:
./configure-cmake --compiler intel --opt normal --mpi --omp --mkl $MKLROOT --ga $GAROOT
I ran the verification ./pymolcas verify
and apart from some failures in the grayzone, everything seems to work.
But running the test in parallel with MPI via ./pymolcas -np 2 verify
the first test already fails.
Looking at the output file the CASPT2 program just aborts.
I could not find any error or reason for this.
I append the .out file, please let me know if you need any further files or information.