[Wien] Latest WIEN2k compiled on different machines - different :ENE for TiC
kevin.jorissen at ua.ac.be
Tue Oct 2 17:52:45 CEST 2007
Dear WIEN users,
I've installed the latest WIEN2k on two different machines :
* intel xeon + ifort 8.1 + mkl 7.0
* opteron + pgf90 5.2-4 + acml 2.0
To the best of my knowledge, compiler settings are as equivalent as possible.
For the TiC test case, I get total energies :ENE that differ by about 10^-4 Ry from one machine to the other. (I compared the ifort+mkl to the precompiled executables on the xeon machine and found as good as identical results there.)
Has anyone compared these energies between different platforms and found agreement or disagreement?
And does anyone know what WIEN-version was used for the files in the TiC.tar testcase?
University of Washington
Dept. of Physics
phone +1 206 543 3904
fax +1 206 685 0635
e-mail kevin.jorissen at ua.ac.be
web page http://fraangelico.phys.washington.edu/~jorissen
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