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High precision atomic data is indispensable for experiments involving studiesof fundamental interactions, astrophysics, atomic clocks, plasma science, andothers. We develop new parallel atomic structure codes and explore thedifficulties of load-balancing in these codes. Efficient load-balancing ofmatrix elements for many-electron systems is very difficult due to theintrinsic nature of the computational methods used to compute them. Byarithmetically selecting determinants for each core, we achieve very evenworkload distribution, and attain near-perfect linear scalability andefficiency with the number of cores. We also implement dynamic memoryallocation to minimize memory usage and remove the need for users to setcertain array parameters. Our newly developed codes enable computations thatwere not possible before due to lack of memory or prohibitive computationtimes, and allow a broader range of correlations to be investigated in ashorter period of time. This includes calculations correlating all 60 electronsin the highly charged Ir$^{17+}$ ion and calculations predicting the $3C/3D$line intensity ratio in Fe$^{16+}$. Our new code package will also be used toproduce large volumes of high precision atomic data for a new online portalbeing developed at the University of Delaware.

Scalable codes for precision calculations of properties of complex atomic systems