Alex Brown, Pack Forest UNEDF 2009 Implementations of NuShellX.

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Presentation transcript:

Alex Brown, Pack Forest UNEDF 2009 Implementations of NuShellX

Alex Brown, Pack Forest UNEDF 2009 Bill Rae (Garsington, England) Alexander Lisetskiy (MSU) UNEDF support for three months this summer Angelo Signoracci (MSU, grad student) Mihia Horoi (Central Michigan) BAB

Alex Brown, Pack Forest UNEDF 2009 NuShellX starts with good-J proton and neutron basis states. Then a good-J pn basis is generated from vector coupling: Fortran95 OpenMP The Hamiltonian matrix is obtained “on the fly” Windows and Linux is a set of wrapper codes that makes the program very easy to install and run with standard inputs and outputs. There are many more options that can be accessed by the expert users. The code is open-source so you can make changes.

Alex Brown, Pack Forest UNEDF 2009 The proton and neutron basis states are obtained by angular momentum projection from M states with the underlying code NuShell. NuShell is a Fortran95 replacement for Oxbash But the use of NuShell (Oxbash) for mixed proton-neutron States is very limited by the time and space needed for projection and matrix storage. NuShellX solves this problem.

Alex Brown, Pack Forest UNEDF 2009

The key is to optimize the sums in this equation for OpenMP and/or MPI

Alex Brown, Pack Forest UNEDF 2009 Example for 56 Ni in the pf shell

Alex Brown, Pack Forest UNEDF 2009 Example for 56 Ni in the pf shell

Alex Brown, Pack Forest UNEDF 2009 Example for 56 Ni in the pf shell

Alex Brown, Pack Forest UNEDF 2009

Value from double-beta experiment A=76 double-beta calculations based on f5,p3,p1,g9 model space J dimensions on the order of one million 100 J=1 states (further work needed to evaluate the contributions from f7 and g7)

Alex Brown, Pack Forest UNEDF 2009

Truncation based on structure of the basis states 1)proton (neutron) orbital occupations 2)J p (J n ) of the proton (neutron) basis states 3)eigenvalues of the pn particle-hole TBME

Alex Brown, Pack Forest UNEDF 2009 Implementation of ideas given in DuFour and Zuker, PRC54, 1641 (1996) Truncation based on eigenvalues of the particle-hole TBME

Alex Brown, Pack Forest UNEDF 2009 Truncation based on eigenvalues of the particle-hole TBME Implementation of ideas given in DuFour and Zuker, PRC54, 1641 (1996)

Alex Brown, Pack Forest UNEDF 2009 Truncation based on eigenvalues of the particle-hole TBME

Alex Brown, Pack Forest UNEDF 2009 UNEDF - status OpenMP – speedup is 90% efficient for up to 8 cores. Speedup saturation is about 40 (compared to one core) Since matrix is not needed, storage is relatively small - e.g. 10s of GB for 100,000,000 J (10 billion M) states. Summer project with Lisetskiy - What are the limiting factors? - How to make NuShellX more efficient? - Try MPI – i.e., Cluster-OpenMP

Alex Brown, Pack Forest UNEDF 2009 UNEDF - future plans (year 4-5) Computation: details depend on results of this summer. With the code now - each J is independent (e.g. 10 per nucleus) - each nucleus is independent e.g. one pass for the A= mass region could involve about (one J) x (number of J) x (number of nuclei) = 64 x 10 x 80 = 50,000 cores (with about 50% efficiency) We need to find good Hamiltonians for the A= mass region Transformational applications up to 100 Sn - Double-beta decay for A=76 and A=82 - Understanding the nuclear rapid-proton-capture-process - Fermi decay for extracting v ud