<div>Greetings to all,</div><div><br></div><div>i would like to perform QM/MM simulations on a system using GPU (on my personnal computer and also on a GPU cluster). When i want to launch a run i use this command :
"cp2k.ssmp -i file.inp -o file.out" , is there a way to make it use GPU instead of CPU ? <br></div><div>Can i use a different command line ? And also can we monitor the steps and time left for the calculations with a -v ?</div><div><br></div><div>Best regards,</div><div><br></div><div>Mario.<br></div><div><br>
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