<div dir="ltr"><div>Thanks you Alfio. I will try DBCSR with version 1.1.0.</div><div><br></div><div>Linfeng<br></div><br>在 2019年5月17日星期五 UTC+8下午5:27:37，Alfio Lazzaro写道：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear Linfeng,<div>The current DBCSR is in pre-release for v2, please use the official tag included in the CP2K (<a href="https://github.com/cp2k/dbcsr/releases" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fdbcsr%2Freleases\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHUdRPPrxSHjQ01-c2nf-vrOjRtrA';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fcp2k%2Fdbcsr%2Freleases\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHUdRPPrxSHjQ01-c2nf-vrOjRtrA';return true;">https://github.com/cp2k/<wbr>dbcsr/releases</a>).</div><div><br></div><div>The DBCSR v2 will be released soon and it requires changes in CP2K (as you noticed).</div><div><br></div><div>Alfio</div><div><br></div><div><br></div><div><br></div><div><br>Il giorno venerdì 17 maggio 2019 05:03:14 UTC+2, linfeng gan ha scritto:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Dear CP2K developers,</div><div>When I compild the newest version CP2K(2019-05-16) with newest dbcsr 2019-04-16 version, I runned across following error,</div><div><br></div><div><span style="font-size:10.5pt;font-family:等线" lang="EN-US"></span></div><div>error #6627: This is an actual argument keyword name, and not a dummy argument name.   [ROW_CLUSTER]</div><div>            CALL dbcsr_distribution_get(dist_<wbr>qs, row_dist=blk_distr, row_cluster=cluster_distr)</div><div><br></div><div>It seems there are some arguments problem in the source code. And I found that the error local in the src/mscfg_types.F<br></div><div><br></div><div>         IF (dimen == 1) THEN !rows<br>            CALL dbcsr_distribution_get(dist_<wbr>qs, row_dist=blk_distr, row_cluster=cluster_distr)<br>            CALL dbcsr_get_info(submatrix_in, row_blk_size=blk_sizes)<br>         ELSE !columns<br>            CALL dbcsr_distribution_get(dist_<wbr>qs, col_dist=blk_distr, col_cluster=cluster_distr)<br>            CALL dbcsr_get_info(submatrix_in, col_blk_size=blk_sizes)<br>         ENDIF</div><div><br></div><div>and the  dbcsr_distribution_get() subroutine is local in the exts/dbcsr/src/dbcsr_api.F, which is <br></div><div>   SUBROUTINE dbcsr_distribution_get(dist, row_dist, col_dist, &<br>                              <wbr>       nrows, ncols, has_threads, &<br>                              <wbr>       group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, &<br>                              <wbr>       subgroups_defined, prow_group, pcol_group)</div><div><br></div><div>It seems there not row_cluster argument lists in the dbcsr_distribution_get() subroutine. Is this a bug or something else? <br></div><div><br></div><div>Yours,</div><div>Linfeng<br></div></div></blockquote></div></div></blockquote></div>