[Wien] problems with parallel jobs on AIX

[Hong Jiang]

Dear Wien2k developers and users,
I tried to run MPI parallel jobs  using the latest wien2k v0.83 on IBM 
AIX5.3 (Power 5) , found the following problems.
1)  Using a small system like Si as a simple test,  lapw0  and lapw1 run 
smoothly, but when it comes to lapw2, the following error messages show up,

   2:ERROR: 0032-172 Invalid color  (-6) in MPI_Comm_split, task 2
   1:ERROR: 0032-172 Invalid color  (-6) in MPI_Comm_split, task 1
   3:ERROR: 0032-172 Invalid color  (-6) in MPI_Comm_split, task 3

2) For 2*2*2 supercell of Si,  the job stops at lapw1, with the 
following error message

    1:ERROR: 0032-117 User pack or receive buffer is too small  (24576) 
in MPI_Recv, task 1

3) When I tried to use k-points and MPI parallelization at the same time 
(nproc=4, MPIJobs=2), the following error appears when running lapw1.

ERROR: 0031-463  Unable to establish connection with Partition Manager 
daemon (/etc/pmdv4) on node fh25.rzg.mpg.de, rc = 4


I tried v0.81 with same compilation options on the same machines. The 
problems 1) and 2) do not occur, but 3) does.

Could you tell me what causes these problems?  Thank you very much in 
advance!

  Hong