[Wien] MPI problems

Dear Wien2k users I am experiencing some problems trying to run an mpi calculation on our cluster. I am using the version 10.1 (Release 7/6/2010) with openmi and the intel compiler. I end up with errors in the dayfile and in the error file (see below). Here is my .machines file :

[Wien] problem with running TB-MBJ for band gaps.

, file = 'BaF2.r2v') Fortran runtime error: Constant string in input format (1X,,I10) ^ stop error Thank you -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110119/1ff4d9f0

[Wien] problem with running TB-MBJ for band gaps.

Please follow carefully the instructions in the UG on how to run a mBJ calculation. You need to have activated R2V (instead of NR2V) in case.in0 and must also do at least one PBE run with this option before you switch to mBJ. Am 19.01.2011 12:20, schrieb yedu kondalu: Dear all .. This is