[Pw_forum] cluster*.in tests fail with PAW and ifort -xHost

[Steve Schmerler]

Hello

I'm compiling QE 4.2.1 (pw.x) with
    ifort 11.1.046
    MKL 10.2.1.017
    fftw 3.2.2
on Xeon E5530 CPUs.

I found that the 4 tests espresso-4.2.1/tests/cluster*.in [1] segfault
with "ifort -O3 -xHost", but only when using PAW datasets. Using normal
pseudos works, as does using less optimization (no -xHost).

I recompiled the files, which I thought might have been miscompiled, with
less optimization
    PW/martyna_tuckerman.f90
    PW/makov_payne.f90
    PW/paw_onecenter.f90
    PW/paw_init.f90
    Modules/paw_variables.f90
but to no avail. Which other files should I recompile?

Thanks.

best,
Steve

[1] http://qe-forge.org/frs/download.php/115/espresso-4.2.1-examples.tar.gz

-- 
Steve Schmerler
Institut für Theoretische Physik
TU Bergakademie Freiberg
Leipziger Str. 23, 09599 Freiberg, Germany