[QE-users] qe compiled with aocc and aocl is incompatible with ph.x

[Paolo Giannozzi]

The developer version (soon to be released) works:
   http://bionano2.dimi.uniud.it:8010/#/builders/30/builds/17
AOCC miscompiles the code reading xml. There is a workaround now

Paolo

On 6/30/25 10:31, 半城烟沙 via users wrote:
> Dear,
> I compile qe with aocc_v5.0 and aocl_v5.0. The compiled qe can works 
> well with pw.x, while fails with ph.x. The error message is list below:
> *******************
>       Message from routine qes_read:parallel_infoType:
>       error reading nprocs
>       Message from routine qes_read:parallel_infoType:
>       error reading nthreads
>       Message from routine qes_read:parallel_infoType:
>       error reading ntasks
>       Message from routine qes_read:parallel_infoType:
>       error reading nbgrp
>       Message from routine qes_read:parallel_infoType:
>       error reading npool
>       Message from routine qes_read:parallel_infoType:
>       error reading ndiag
>       Message from routine qexsd_readschema :
>       error in parallel_info  of xsd data file
> *********************
> The message indicate that the qes_read obatined a wrong value about the 
> parallel_info. However, the xml file can be recognized by ph.x complied 
> with intel oneAPI. The content of xml file is list below:
> *********************
>    <parallel_info>
>      <nprocs>96</nprocs>
>      <nthreads>1</nthreads>
>      <ntasks>1</ntasks>
>      <nbgrp>1</nbgrp>
>      <npool>24</npool>
>      <ndiag>4</ndiag>
>    </parallel_info>
> *********************
> Please tell me how toresolve this issue.
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216