Matrix: Meng/iChem_Jacobian
Description: computational chemistry, Lingyi Meng, iChem, China
(bipartite graph drawing) | (graph drawing of A+A') |
Matrix properties | |
number of rows | 274,087 |
number of columns | 274,087 |
nonzeros | 4,137,369 |
structural full rank? | yes |
structural rank | 274,087 |
# of blocks from dmperm | 1 |
# strongly connected comp. | 1 |
explicit zero entries | 0 |
nonzero pattern symmetry | 98% |
numeric value symmetry | 65% |
type | complex |
structure | unsymmetric |
Cholesky candidate? | no |
positive definite? | no |
author | L. Meng |
editor | T. Davis |
date | 2015 |
kind | computational chemistry problem |
2D/3D problem? | no |
Additional fields | size and type |
b | sparse 274087-by-1 |
Notes:
Jacobian matrix from a computational chemistry problem. Lingyi Meng, Collaborative Innovation Center of Chemistry for Energy Materials (iChem), Xiamen University, Fujian, China, www.2011-ichem.org. The matrix is complex, and has a sparse and real right-hand-side. References: Lingyi Meng, ChiYung Yam, SiuKong Koo, Quan Chen, Ngai Wong, and GuanHua Chen, Dynamic Multiscale Quantum Mechanics/Electromagnetics Simulation Method, J. of Chemical Theory and Computation, 2012, vol 8, pp 1190-1199, dx.doi.org/10.1021/ct200859h Lingyi Meng, Zhenyu Yin, ChiYung Yam, SiuKong Koo, Quan Chen, Ngai Wong, and GuanHua Chen, Frequency-domain multiscale quantum mechanics/electromagnetics simulation method, J. of Chemical Physics 139, 244111 (2013); doi: 10.1063/1.4853635
Ordering statistics: | result |
nnz(chol(P*(A+A'+s*I)*P')) with AMD | 569,339,443 |
Cholesky flop count | 4.4e+12 |
nnz(L+U), no partial pivoting, with AMD | 1,138,404,799 |
nnz(V) for QR, upper bound nnz(L) for LU, with COLAMD | 856,657,897 |
nnz(R) for QR, upper bound nnz(U) for LU, with COLAMD | 1,510,779,718 |
For a description of the statistics displayed above, click here.
Maintained by Tim Davis, last updated 05-Jun-2015.
Matrix pictures by cspy, a MATLAB function in the CSparse package.
Matrix graphs by Yifan Hu, AT&T Labs Visualization Group.