[Wien] problems with parallel jobs on AIX

[Peter Blaha]

Maybe it helps when you download from
http://www.wien2k.at/reg_user/wien2k_download/files/

SRC_lapw2_prerelease9.1.tar.gz

We have fixed some mpi-problems in this version.

Hong Jiang schrieb:
> 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
> 
> 
> 
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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