[Wien] at daemon

[Saeid Jalali]

Dear all,
We are running the latest version of the code on Fedora Core 7 using the latest MKL and ifc compiler. Our system is Intel(R) Core(TM)2 Quad CPU @ 2.40GHz.

Our case, containing 60 atoms, is converged selfconsistently, if we perform run_lapw -p interactively. However, we would run it in background using at daemon. But surprisingly, we have observed the following error at first cycle, when we perform run_lapw -p using "at now" command:
**  testerror: Error in Parallel LAPW2

This is in the case that the at daemon works well for other lighter cases. Even it works for this heave case, if we reduce the Rkmax.

The RAM memory of our system is 2 GB, and the swap memorry is 4 GB. When the 4 cores of our system are involved to run, in parallel, the lapw1, almost 3.5 GB out of the 4 GB swap space is used.

We are surprised from where the problem of running the 60 atoms case only at background (and not interactively!) comes.

Your,
S. Jalali.



yxl at email.jlu.edu.cn wrote: Dear users,
      Do you have ever met the same situation? In step kgen the number of k-points is 
the same, if enter 'yes' in 'Shift k-mesh' then all things will be ok until convergence,
 but if enter 'no' then lapw1 error:   Cholesky INFO =         4715
                                                      'SECLR4' - POTRF (Scalapack/LAPACK) failed.
    I couldn't understand it, what's the difference between them. Any suggestions will
be appreciated.
Best wishes!
                                                                                        yours sincerely,
                                                                                              hongxia
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