Wrong tests

ilya ily... at gmail.com
Sat Sep 27 17:20:47 CEST 2008


Hello again!

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
             FARMING/regtest-1/farming-4.inp.out
       and 2 interface tests
             Fist/regtest-12/interface.inp.out
             Fist/regtest-12/interface-2.inp.out

2. Most of errors are reasonable but some are VERY big, for example
/home/ilya/cp2k-regtest/TEST-sun-popt-2008-09-25T17:52:19+0400/QS/
regtest-nmr-4/no_list-1.inp.out :
 CheckSum Shifts = : old = 0.2519938850003016E+04 new =
0.2858334262329236E+04
 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.

Thanks,
Ilya.



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