CP2K build with Intel Compiler and MKL
Nguyen Ngoc Ha
ha... at hnue.edu.vn
Mon Oct 5 13:11:24 UTC 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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