ily... at gmail.com
Sat Sep 27 17:20:47 CEST 2008
I've tested the latest version of cp2k several days ago and get some
strange results (it's my first such test).
It was compiled with intel fortran 10.1.018, mkl 10.0.4.023, fftw
3.1.2 (all are the latest).
I have temporarily uploaded the file test.log with the results.
There are some points
1. Most of the failures are because i didn't link with libint, but i
can't understand the failures with
and 2 interface tests
2. Most of errors are reasonable but some are VERY big, for example
CheckSum Shifts = : old = 0.2519938850003016E+04 new =
relative error : 1.18389027e-01
Comparison done with latest ref results from the site.
Any ideas? Is it intel problems again?
PS It was sun opteron cluster if it matters.
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