Hello, A change in allocation has been requested: Requester: vama (Alvaro VazquezMayagoitia) Project: TDSE-APS Title: Time dependend quantum approaches to support APS X-ray experiments Description: We plan to run ~80 calculations using 1 node each for ~1-10 hrs. We recently added OpenMP to our code and applied vectorization techniques which reduced 10x times the walltime of our calculations. we plan to extend our parallelization with MPI. Most of the calculations will be carried out by two summer interns. Current: undetermined amount Justification: We currently run a binary that computes transitions states between core electrons to continuum states and internal transitions. We recently modified our serial code to use multiple threads. Our code scales to 32 cores per node. We plan to apply MPI parallelization. Requested: 50000 A specific reason has been given: We would like to continue using LCRC resources for our research in x-ray pulses in atoms and molecules. Blues has been extremely useful, and we recently published our results in a peer-reviewed PRA paper: Normal Auger processes with ultrashort x-ray pulses in neon Raymond Sullivan, Junteng Jia, Álvaro Vázquez-Mayagoitia, and Antonio Picón Phys. Rev. A 94, 043421 – Published 26 October 2016 https://journals.aps.org/pra/abstract/10.1103/PhysRevA.94.043421#fulltext Thanks Alvaro Vazquez-Mayagoitia This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System