GPU Client ?

Author	Message
Balmer Send message Joined: 10 Jan 21 Posts: 1 Credit: 11,400 RAC: 0	Message 1310 - Posted: 13 Jan 2021, 9:25:12 UTC HELLO ALL WE NEED A GPU Client (Fully Optimized)! CALCULATIONS ARE MUCH FASTER THANK YOU in advance. Balmer ID: 1310 · Rating: 0 · rate: / Reply Quote

[VENETO] boboviz Send message Joined: 13 Sep 19 Posts: 69 Credit: 399,347 RAC: 0	Message 1587 - Posted: 17 Dec 2021, 8:37:49 UTC - in response to Message 1310. WE NEED A GPU Client (Fully Optimized)! CALCULATIONS ARE MUCH FASTER That's for sure, but: - we don't know if they are still using closed source code (GAUSSIAN) or if they completely passed to open source platforms (EvoMol/NWChem/NWChemEx). - we don't know if, in the case of they are using open-source, they want to be helped by volunteers. - we don't know if the code is suitable to gpus. Only admins can answer. ID: 1587 · Rating: 0 · rate: / Reply Quote

damotbe Volunteer moderator Project administrator Project developer Project tester Project scientist Help desk expert Send message Joined: 23 Jul 19 Posts: 289 Credit: 464,119,561 RAC: 0	Message 1690 - Posted: 5 Mar 2022, 8:38:56 UTC - in response to Message 1587. No, we are not allowed to use Gaussian, we use NWChem which is open source. There is no GPU code that suits our needs ID: 1690 · Rating: 0 · rate: / Reply Quote