Dear Frederick,<div><br /></div><div>Thank you very much for the reply!</div><div><br /></div><div>1) Yes, I mean OpenMPI 3.1.6.</div><div><br /></div><div>2) 'local.psmp' file is attached, hope that is what you asked for.</div><div><br /></div><div>3) Yes, I did the command 'source /user/povar/cp2k-2023.2/tools/toolchain/install/setup' after the toolchain.<br /></div><div><br /></div><div>4) mpifort --version</div>GNU Fortran (GCC) 9.3.0<br />Copyright (C) 2019 Free Software Foundation, Inc.<br />This is free software; see the source for copying conditions. There is NO<br />warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.<div><br /></div><div>Best regards,</div><div>Mikhail</div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, November 28, 2023 at 1:08:25 PM UTC+1 Frederick Stein wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div>Dear Mikhail,</div><div><br></div><div>I suppose you mean OpenMPI 3.1.6 (MPI is just the standard defining an interface for parallel programming). Could you post your arch file of the parallel build? Did you source the setup file after the toolchain script finished? Could you also post the output of `mpifort --version`?</div><div><br></div><div>Best,</div><div>Frederick<br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">Mikhail Povarnitsyn schrieb am Dienstag, 28. November 2023 um 11:06:14 UTC+1:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><p style="border:0px solid rgb(217,217,227);box-sizing:border-box;margin:1.25em 0px;color:rgb(55,65,81);font-family:Söhne,ui-sans-serif,system-ui,-apple-system,"Segoe UI",Roboto,Ubuntu,Cantarell,"Noto Sans",sans-serif,"Helvetica Neue",Arial,"Apple Color Emoji","Segoe UI Emoji","Segoe UI Symbol","Noto Color Emoji";font-size:16px">Dear Developers and Users,</p><p style="border:0px solid rgb(217,217,227);box-sizing:border-box;margin:1.25em 0px;color:rgb(55,65,81);font-family:Söhne,ui-sans-serif,system-ui,-apple-system,"Segoe UI",Roboto,Ubuntu,Cantarell,"Noto Sans",sans-serif,"Helvetica Neue",Arial,"Apple Color Emoji","Segoe UI Emoji","Segoe UI Symbol","Noto Color Emoji";font-size:16px">I am attempting to install the latest version, 2023.2, using the GNU compiler (gcc 9.3.0) along with MPI 3.1.6. I employed the toolchain script as follows: './install_cp2k_toolchain.sh'.</p><p style="border:0px solid rgb(217,217,227);box-sizing:border-box;margin:1.25em 0px 0px;color:rgb(55,65,81);font-family:Söhne,ui-sans-serif,system-ui,-apple-system,"Segoe UI",Roboto,Ubuntu,Cantarell,"Noto Sans",sans-serif,"Helvetica Neue",Arial,"Apple Color Emoji","Segoe UI Emoji","Segoe UI Symbol","Noto Color Emoji";font-size:16px">The serial version 'ssmp' has been successfully compiled. However, the compilation of the parallel version 'psmp' failed with the following error: </p><div><br></div><div>/user/povar/cp2k-2023.2/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:106:53:<br><br> 106 | MPI_COMM_TYPE, PARAMETER :: mp_comm_null_handle = MPI_COMM_NULL<br> | 1<br>Error: Parameter ‘mpi_comm_null’ at (1) has not been declared or is a variable, which does not reduce to a constant expression<br>/user/povar/cp2k-2023.2/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:107:53:<br><br> 107 | MPI_COMM_TYPE, PARAMETER :: mp_comm_self_handle = MPI_COMM_SELF<br> | 1<br>Error: Parameter ‘mpi_comm_self’ at (1) has not been declared or is a variable, which does not reduce to a constant expression<br>/user/povar/cp2k-2023.2/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:108:54:</div><div><br></div><div> 108 | MPI_COMM_TYPE, PARAMETER :: mp_comm_world_handle = MPI_COMM_WORLD<br></div><div><br></div><div>and other similar errors. </div><div><br></div><div>Could you please help?</div><div><br></div><div>Best regards</div><div>Mikhail</div><div><div><br></div></div></blockquote></div></blockquote></div>
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