help with atom IEEE_DENORMAL

Asked by Dayler Jhair SIlva Leiva on 2017-07-16

# Example with libxc functional
   pe Teluro
        tm2 # PS flavor, logder R
 n=Te c=psr 01160133 # Symbol, XC flavor,{ |r|s} {Libxc code}
       0.0 0.0 0.0 0.0 0.0 0.0
    9 4 # norbs_core, norbs_valence
    5 0 2.00 0.00 # 5s
    5 1 4.00 0.00 # 5p
    5 2 0.00 0.00 # 5d
    4 3 0.00 0.00 # 4f
      3.62 3.62 2.78 2.78 0.01 -1.00

When using atom :

Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL


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Nick Papior (nickpapior) said : #1

Have you compiled atom.F with high optimizations?

If so, try and compile with -O1?

How do compiled with high optimization? I am New

We try but I have the same error

Nick Papior (nickpapior) said : #4

Note, if they are only signalled and without errors then there should be nothing wrong, i.e. your psf should be fine.

PS. I said, do NOT compile with high optimizations.
PPS. I suggest you talk to your local computer administrator about these things. He/she should know.

I still have the same problem, but it only happens to me for the Te, try with Cu and V, and with put xc = psr it was solved

Can you help with this problem?

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