[Wien] MPIRUN command

2016-02-15 Thread Valerie Base
Hello, In the command: mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ does _NP_ denote the number of processors and _HOSTS__EXEC denote the host list? Is the host list the same as the .machines file. The system that I'm running WIEN2k on launches MPI job in a slightly different way (ibrun is

[Wien] Error in WIEN2k 14 MPI Jobs

2016-02-13 Thread Valerie Base
Hello, My WIEN2k 14 serial jobs run fine but my MPI jobs always crash in the first SCF cycle. I get the following message in the log file: LAPW0 END PuO2_bulk.scf1up_1: No such file or directory. grep: *scf1up*: No such file or directory PuO2_bulk.scf1dn_1: No such file or directory. grep: