CP2K build with Intel Compiler and MKL

Nguyen Ngoc Ha ha... at hnue.edu.vn
Mon Oct 5 15:11:24 CEST 2009


Hi,
I've just checked carefully my build (the arch file I posted before)
with Intel Fortran Compiler
10.1.018 and MKL 10.0.4.023 (the same Ondrej used), OpenMPI 1.3.3.
Some tests didn’t pass, especially SE PM6:

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC             Routine            Line
Source
cp2k               091B1AD9  Unknown               Unknown  Unknown
.                     FFFFE410  Unknown               Unknown  Unknown


Nguyen, Ngoc Ha
Hanoi National University of Education
Faculty of Chemistry
Department of Physical Chemistry
Tel: Office: 04/8330842
Home: 04/7891674
Mobile: 0989133436


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