[CP2K-user] dbcsr_distribution_get() subroutine problem

linfeng gan ganli... at gmail.com
Fri May 17 03:03:14 UTC 2019


Dear CP2K developers,
When I compild the newest version CP2K(2019-05-16) with newest dbcsr 
2019-04-16 version, I runned across following error,

error #6627: This is an actual argument keyword name, and not a dummy 
argument name.   [ROW_CLUSTER]
            CALL dbcsr_distribution_get(dist_qs, row_dist=blk_distr, 
row_cluster=cluster_distr)

It seems there are some arguments problem in the source code. And I found 
that the error local in the src/mscfg_types.F

         IF (dimen == 1) THEN !rows
            CALL dbcsr_distribution_get(dist_qs, row_dist=blk_distr, 
row_cluster=cluster_distr)
            CALL dbcsr_get_info(submatrix_in, row_blk_size=blk_sizes)
         ELSE !columns
            CALL dbcsr_distribution_get(dist_qs, col_dist=blk_distr, 
col_cluster=cluster_distr)
            CALL dbcsr_get_info(submatrix_in, col_blk_size=blk_sizes)
         ENDIF

and the dbcsr_distribution_get() subroutine is local in the 
exts/dbcsr/src/dbcsr_api.F, which is 
   SUBROUTINE dbcsr_distribution_get(dist, row_dist, col_dist, &
                                     nrows, ncols, has_threads, &
                                     group, mynode, numnodes, nprows, 
npcols, myprow, mypcol, pgrid, &
                                     subgroups_defined, prow_group, 
pcol_group)

It seems there not row_cluster argument lists in the 
dbcsr_distribution_get() subroutine. Is this a bug or something else? 

Yours,
Linfeng
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