[Wien] (no subject)

[Luis Ogando]

Dear WIEN2k community,

    I would like to ask your help with an issue related to the use of the
mBJ potential in an IBM/AIX environment.
    I have a calculation where the PBE cycle runs without problems, but the
mBJ part stops with an error in lapw0. The error is

=========================================================
    cycle 1  (Mon May 13 15:59:03 CEST 2013)  (200/99 to go)

>   lapw0 -grr  (15:59:03) 3.048u 0.137s 0:03.20 99.0% 0+0k 0+0io 0pf+0w
>   lapw0  (15:59:07) Segmentation fault
8.459u 0.132s 0:08.60 99.7% 0+0k 0+0io 0pf+0w
error: command   /gpfs/home_apps/apps/WIEN2K/12.1/lapw0 lapw0.def   failed

>   stop error
==========================================================

   There is a discussion about it in the WIEN2k mailing list and the
solution is the use of FFTW3 instead of FFTW2. It worked in my Intel -
Debian - ifort system, but not in the IBM one.
    Well, I would like to kindly ask you if anyone had a similar problem
with mBJ in IBM-AIX-xlf. If positive, how did you solve it ?
    In case anyone has used mBJ without problems, I would be glad if you
could email me the correpondent compilation options.
    Many thanks in advance,
                             Luis
PS: I am working with the sequential version of WIEN2k 12.1
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