[QE-users] Compilation of qe-7.3.1 with oneAPI 2025

[Paolo Giannozzi]

You should look into the output file, or into the error log (both can be 
found in the pw_vdw/ directory): there should be an error message 
somewhere. If not, run interactively with input pw_vdw/xdm.in. Anyway, 
if it is limited to XDM and you don't need it, don't worry

Paolo

On 12/4/24 11:43, ALFONSO GALLO BUENO wrote:
> 
> Hi,
> I am trying to build QE-7.3.1 with Intel oneAPI 2025. It compiles 
> successfully with the attached make.inc file, but however it fails to 
> complete the test suite. First test to fail:
> 
> pw_vdw - xdm.in: **FAILED**.
> Different sets of data extracted from benchmark and test.
>      Data only in benchmark: f1, band, ef1, e1, p1, n1.
> 
> I am running Ubuntu 24.04.1 LTS on 1 node Intel(R) Xeon(R) W-2145 CPU @ 
> 3.70GHz.
> 
> Any help would be greatly appreciated.
> Best regards,
> Alfonso Gallo
> 
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216