[QE-users] QE-GPU, problems with cp.x

Valentina Tozzini valentina.tozzini at nano.cnr.it
Mon Jun 23 10:21:36 CEST 2025


Hi all,
I have problems in running cp.x on GPUs with ultrasoft PPs on LEONARDO. I’m using QE v.7.2 as currently implemented therein. 



Apparently there is some incompatibility at least when using CG for electrons. 

I get the following error


   from  runcg_uspp : error #         1
      Ultrasoft case not ported to GPU

Can anybody help me? Or maybe is there a place where all the options already ported on CPUs are listed?


Thanks 
Vt


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