Dear siesta list, I have compiled siesta-3.2-pl-4 on the RWTH Bull computer cluster: https://sharepoint.campus.rwth-aachen.de/units/rz/HPC/public/Lists/Bull%20Cluster%20Configuration%20Phase%202%20October%202011/AllItems.aspx
I have used intel compiler 14.0 and openMPI 1.6.5. I have linked using the http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ After submitting a parallel job the code start running but it stops at the moment of initializing the DM with the error: *** An error occurred in MPI_Recv *** on communicator MPI COMMUNICATOR 10 DUP FROM 9 *** MPI_ERR_TRUNCATE: message truncated *** MPI_ERRORS_ARE_FATAL: your MPI job will now abort The very same input file works well on another machine (with intel MPI). However, on the Bull cluster a compilation with intel MPI produces an executable whose output file 'freezes' for incompatibility between Intel MPI and the LSF batch system. I have contacted the cluster support center and they suggest that the problem is related to the SIESTA code. Any hint on how to solve this? Thanks in advance, Zeila --------------------------------------------------------------- Dr. Zeila Zanolli Marie Curie Fellow Peter Grünberg Institut (PGI) & Institute for Advanced Simulation (IAS) Forschungszentrum Jülich D-52425 Jülich, Germany ETSF Research Team Leader (http://www.etsf.eu/) Mobile (Belgian): +32 487 556699 Landline (Germany).: +49 (0)2461 615193 e-mail: [email protected] web: http://zeilazanolli.wordpress.com/home ResearcherID: http://www.researcherid.com/rid/F-9568-2010 ----------------------------------------------------------------
