Hello,

I am currently doing some calculations with the PEECM method. So far, I could successfully run few calculations with constrained optimization of a small cluster with the serial version of Turbomole 5.10. But when I tried to do the same calculation with the parallel version, I get some strange results. The first energy is the same with both the serial and parallel versions either I use ridft or dscf methods. But when I start the jobex run, the gradients are completely different. The parallel version gives very large gradients and the structures never converge! I also tried both parallel and serial calculations for simple systems (not embedded), where the results are same! Do any one has any experience or comments about this problem? Any help would be greatly appreciated!