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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?) Thank you! -- With best regards, Grigory Shamov

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Re: GaAs test having discrepancies ( No.1 ) Date: 2012/03/23 03:19 Name: Grigory Shamov Oh, my bad: I forgot to patch the reference output of GaAs! Which should be copied to the work/something directory of course. Btw, the working Intel/MKL suite version 12.1.0.233, makefile lines for me were: mpicc = mpicc CC = $(mpicc) -O1 -mp1 -xHost -openmp -I$(MKLROOT)/include/fftw -I$(MKLROOT)/include LIB= -L$(MKLROOT)/lib/intel64 -lmkl_intel_lp64 -lmkl_gnu_thread -lmkl_core -lpthread -- Grigory Shamov

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