linear solver Subroutine for sparse matrices in DBCSR format
chenh... at gmail.com
Tue Jan 24 00:22:52 CET 2012
Dear CP2K Developers,
I am wondering if CP2K has an interface subroutine for sparse matrices in
DBCSR format to solve the linear equations:
where A and C are given DBCSR matrices.
For full matrices in cp_fm_type format, the subroutine "cp_fm_solve" in
module cp_fm_basic_linalg seems working. However, my matrices of A and C
are fairly large and the transformation between DBCSR and FULL formats
would be very time-consuming. So, I am looking for an alternative way to
solve the linear equations without fully expanding those large sparse
Any help is greatly appreciated. Thank you very much.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user