Everything is OK, that only means that you have a complex calculation, in which case the NMATMAX is in addition reduced by sqrt(2), so you have 13000*sqrt(36/2)=55154. You should read the users guide, its all there (page 213).
Try 64 cores.

Best regards

Maciej Polak


On 07/12/2016 08:26 PM, Luis Ogando wrote:
Dear Polak,

   Thank you for your response.
In fact, I am using only one k-point with in a 36 processors MPI calculation. In this case, I should have the matrix size limited to 13000 (NMATMAX) x sqrt(36) = 78000, but I am getting "MATRIX SIZE" = 55150. What am I still missing ? Is NMATMAX defined in another place ?
   Thank you again.
   All the best,
             Luis



2016-07-12 15:11 GMT-03:00 Maciej Polak <maciej.po...@pwr.edu.pl <mailto:maciej.po...@pwr.edu.pl>>:

    The NMATMAX you have defined in your param.inc is the maximum size
    for a non mpi parallel calculation. If you use MPI, then the
    NMATMAX will be automatically increased by sqrt(nmpi). So if you
    want to increase your matrix size, the best way is to use mpi
    parallel execution. Simply increasing NMATMAX and recompiling
    lapw1 and then running it without mpi may lead to unrealistically
    high computational time.
    And yes, the NMATMAX is really limiting the effective the RKmax,
    as you need more matrix elements to represent a bigger basis set.

    Best regards

    Maciej Polak


    On 07/12/2016 07:53 PM, Luis Ogando wrote:
    Dear Wien2k community,

       I am calculating a compound with H atoms. Due to this, I used
    RKmax = 3.0 as recommended in the Wien2k homepage.
       The calculating run without a problem, but I got :

    :WARN :      WARNING: RKmax reduced due to NMATMAX

       In $WIENROOT/SRC_lpaw1/param.inc I have NMATMAX=13000 and, to
    my surprise, I also have :

    :RKM  : MATRIX SIZE 55150LOs: 295 RKM= 2.38  WEIGHT= 1.00  PGR:

    when I was expecting MATRIX SIZE <= NMATMAX
       I would like to get an effective RKmax=3.0 for testing
convergence and to get it I was thinking in changing NMATMAX in $WIENROOT/SRC_lpaw1/param.inc and recompiling the SRC_lapw1
    directory.
       Well, as I am not sure if NMATMAX is really limiting the
    effective RKmax, I would like to know what I misunderstood and
    what is the correct procedure to increase the effective RKmax.
       Thank you for your attention !
       All the best,
                          Luis






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