Is that what it should be?.
The integral transformation calls into BLAS under the hood, so provided that the linked BLAS library is threaded the integral transformation should be as well. If the SCF is explicitly threaded (OPENMP pragmas are used directly) then OPENMP is available and linked correctly, but it may be that the BLAS/lapack used is not threaded.
Or did I Install psi4 incorrectly?
It is difficult to say from the information you have given. If psi4 is running then it looks like the install was successful, but you may have configured it in a way you did not want.
Some questions that will help figure this out.
- How did you install psi4? (ie conda package, build from source)
1.1 If you installed from source what configuration options did you pass to cmake
- What version of psi4 are you using? You should be able to see that at the top of the output file.
- What type of system are you running on? (Linux/mac + distro/version as it applies)
- How did you actually determine that the integral transformation is only using one thread? The SCF code shows the number of threads in the output file, but the transformation does not.
- Did you observe one thread or multiple being used during the CCSD iterations?
Answers to these questions will help narrow down a reason for the behavior you are seeing.