[Wien] intel oneapi 2024.2 ifx

[Lyudmila Dobysheva]

Dear all,

Just for you to know: I tried to compile with intel oneapi 2024.2 using 
their recommended ifx. Most of programs have been compiled after some 
dancing with a tambourine. But a simple old case refused to work, it 
gave an error in mixer:
:NEC01: NUCLEAR AND ELECTRONIC CHARGE    280.00000   256.08364
:WAR   :   NEC01: average large charge leakage:   1.49477222845737 
e/atom
:ERROR :   NEC01: average charge leakage too large:   1.49477222845737

So, I have recompiled it with ifort option, and it works good and as 
expected, with the same ini.

The Intel guys write during compilation: ifort remark #10448: Intel(R) 
Fortran Compiler Classic (ifort) is now deprecated and will be 
discontinued late 2024

Hope they will solve the problem by this time.

Best regards,
Lyudmila Dobysheva
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