linear solver Subroutine for sparse matrices in DBCSR format
chenh... at gmail.com
Mon Jan 23 23:22:52 UTC 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.
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