<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Wien-Users,<div class=""><br class=""></div><div class="">I have compiled successfully (at least without any error during the compilation) WIEN2K_14 with openmpi-1.10, intel16 with mkl support and gcc on Linux (Debian 8). Openmpi have been compiled with ifort16.</div><div class=""><br class=""></div><div class="">Everything works fine in serial for the TiC example but when I move to parallel version (each Kpoint computed with 2 CPUS), the calculation crashed with the following error message:</div><div class=""><br class=""></div><div class=""><div style="margin: 0px; color: rgb(76, 47, 45); background-color: rgb(223, 219, 196);" class="">lapw0para -up lapw0.def </div></div><div style="margin: 0px; color: rgb(76, 47, 45); background-color: rgb(223, 219, 196);" class=""><br class=""></div><div style="margin: 0px;" class=""><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">starting parallel lapw0 at vendredi 1 juillet 2016, 08:52:32 (UTC+0200)</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">-------- .machine0 : 2 processors</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13545] *** An error occurred in MPI_Comm_rank</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13545] *** reported by process [3506765825,1]</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13545] *** on communicator MPI_COMM_WORLD</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13545] *** MPI_ERR_COMM: invalid communicator</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13545] *** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13545] *** and potentially your MPI job)</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13542] 1 more process has sent help message help-mpi-errors.txt / mpi_errors_are_fatal</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">[*****:13542] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages</div><div style="margin: 0px;" class=""><br class=""></div><div style="margin: 0px;" class="">bellow is my .machines file:</div><div style="margin: 0px;" class=""><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">lapw0:localhost localhost</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">1:localhost localhost</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">granularity:1</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">extrafine:1</div><div style="background-color: rgb(223, 219, 196); color: rgb(76, 47, 45); margin: 0px;" class="">lapw2_vector_split:1</div><div style="margin: 0px;" class=""><br class=""></div><div style="margin: 0px;" class="">Do you have so idea to solve this problem.</div><div style="margin: 0px;" class=""><br class=""></div><div style="margin: 0px;" class="">Regards</div><div style="margin: 0px;" class=""><br class=""></div><div style="margin: 0px;" class="">Rémi</div></div></div><div apple-content-edited="true" class=""><div style="color: rgb(0, 0, 0); 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