Thanks you for the tips.
I changed to MKL 10.0.3 and the threading problem disappeared. No
problem to run 8 threads anymore.
Regarding the QTL-B-errors, I tried running with MPI parallelization but
without the iterative diagonalization. This seems to work, no QTL-B
errors. Another (smaller) case
I cannot answer all the questions, but will do my best and maybe
others can chip in.
On Tue, Jun 17, 2008 at 5:12 AM, Johan Eriksson wrote:
> From a code design point of view, should there be any difference
> between lapwX and lapwX_mpi due to different parameters such as NMATMAX,
> which could
Dear Wien community,
I'm running the latest Wien2k release on a linux cluster. IFORT 10.1,
cmkl 9.1, openmpi 1.2.5).
The cases are running fine with k-point parallelization + MPI lapw0.
However, since there are many more cpus than k-points and infiniband
interconnects I want to use full MPI para
This is one of many issues.
1) For mkl 10 make sure that you are using version 10.0.3, the earlier
versions of 10.X had some bugs.
2) Make sure that you do not have a problem in your network software.
I have a new cluster on which the "official" version of mvapich was
installed, and this had a sc
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