GaAs test having discrepancies|
- Date: 2012/03/20 03:50
- Name: Grigory Shamov
- Dear OPenMX users,
Finally, I've build the code with Intel or GCC compilers, linking it against 32-bit interface of MKL, for everything, including FFT. And it works, but the -runtest suite gives one of the test, GaAs, a larger discrepancy with reference results.
The other tests finish and provide results that are seemingly numerically correct.
Is that a known behaviour of GaAs test, to be ignored, or a problem with the compiled code (and what would be the workaround then?)
With best regards,