linear solver Subroutine for sparse matrices in DBCSR format

Hanning Chen chenh... at
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.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list