Hello,
I installed Turbomole 7.1 on a compute cluster, and set up the environment variables according to the README. The TTEST completed successfully. A sample single-point calculation on benzene works fine, it even completed faster compared to the same control file and the same SLURM job script. However, when I ran dscf on a large molecule, the SCF iterations are very slow. On the other cluster dscf finished in 8 minutes but here it timed out 2 hours after submission, and only 4 iterations were completed. I requested 2 nodes, 32 cores in both cases, and the CPUs in both clusters are the same (Xeon E5-2620 v3). In the output, dscf reports that it is running on 32 processors in both cases.
What is the more likely option - that the SLURM system is not set up properly, or that I missed something when setting up Turbomole? I was given the binaries, so I do not know what compiler flags were used.