[Wien] lapw2 mpi parallelization limits

Scott Beardsley scott at cse.ucdavis.edu
Tue Mar 17 16:07:39 CET 2009


> Do you have    TOT   or FOR   in case.in2(c) ??

$ cat wientest.in2
TOT             (TOT,FOR,QTL,EFG,FERMI)
      -9.0      92.0 0.50 0.05                EMIN, NE, ESEPERMIN, ESEPER0
TETRA    0.000          (GAUSS,ROOT,TEMP,TETRA,ALL      eval)
  0 0  2 0  4 0  4 4  6 0  6 4
  0 0  2 0  4 0  4 4  6 0  6 4
  0 0  2 0  4 0  4 4  6 0  6 4
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2
6 4  6 6
 14.00          GMAX
NOFILE        FILE/NOFILE  write recprlist
$

> Does it work with a machines file    compute-0-13 compute-0-19 ...; i.e.
> when you are using different nodes (but restricting the total number to 4)

Yes.

> Could it be that your system does not allow to open a file for reading more than 4 times ??

I can't imagine how. Is WIEN incompatible with NFS? My working directory
is mounted over NFS.

Scott


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