[QE-users] Quantum-ESPRESSO test run using GPU

2018-03-12 Thread Giovanni Cantele
Dear all, I would like to test Quantum-ESPRESSO using GPU. I think I’m not properly executing the running command, because I encounter errors like: *** ERROR *** something went wrong inside query_gpu_specs! (rank 0)--- Primary job terminated

Re: [QE-users] Quantum-ESPRESSO test run using GPU

2018-03-12 Thread Pietro Bonfa'
Dear Dr. Cantele, which of the two GPU enabled versions of QE are you testing? I'm a bit confused by your error message. A quick google search pointed me to the old qe-gpu-plugin (https://github.com/fspiga/qe-gpu-plugin/search?utf8=%E2%9C%93&q=something+went+wrong+inside+query_gpu_specs&type=) dev

Re: [QE-users] Quantum-ESPRESSO test run using GPU

2018-03-13 Thread Giovanni Cantele
Hi Pietro, I thank you for your advice. The confusion arises because I downloaded and compiled the NEW GPU code, but within the execution script specified the executable of an old 5.4.0 version with the old plugin, I compiled several weeks ago. Now pw.x is able to start! Thank a lot! Giova