linear solver Subroutine for sparse matrices in DBCSR format

Hanning Chen 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:

                   A*B=C

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
matrices.

  Any help is greatly appreciated. Thank you very much.

Hanning
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