compute capability 89 problem

[keebborg]

Hello!
I have a problem to run Tinker9 after installation:

tinker9 dynamic -k dhfr2.key dhfr2.xyz 1000 1.0 1.0 4 298 1.0
...
Terminating with uncaught exception : The source code should be updated for compute capability 89; Please let us know at ../tinker9/src/cudart/gpucard.cpp:149

Maybe someone knows how to solve this problem? I use RTX 4090, cuda12 and Nvidia Driver Version: 525.60.13.

Thanks in advance

[pren]

Make sure your hpc_sdk matches cuda 12. I have no issue using cuda_11.2 on 4090. From: keebborg ***@***.***> Date: Tuesday, March 14, 2023 at 2:12 PM To: TinkerTools/tinker9 ***@***.***> Cc: Subscribed ***@***.***> Subject: [TinkerTools/tinker9] compute capability 89 problem (Discussion #218) Hello! I have a problem to run Tinker9 after installation: tinker9 dynamic -k dhfr2.key dhfr2.xyz 1000 1.0 1.0 4 298 1.0 ... Terminating with uncaught exception : The source code should be updated for compute capability 89; Please let us know at ../tinker9/src/cudart/gpucard.cpp:149 Maybe someone knows how to solve this problem? I use RTX 4090, cuda12 and Nvidia Driver Version: 525.60.13. Thanks in advance — Reply to this email directly, view it on GitHub<https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2FTinkerTools%2Ftinker9%2Fdiscussions%2F218&data=05%7C01%7C%7C02b66a228ffe4b00492f08db24c00346%7C31d7e2a5bdd8414e9e97bea998ebdfe1%7C0%7C0%7C638144179376955702%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=Q2tZ904ukUQ%2FRo5fyBSk99YIMCU7XcuwrI0EKeO7xGw%3D&reserved=0>, or unsubscribe<https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2Fnotifications%2Funsubscribe-auth%2FABNC6XX3HEQI5CDD47VVXO3W4C7ITANCNFSM6AAAAAAV23LCLM&data=05%7C01%7C%7C02b66a228ffe4b00492f08db24c00346%7C31d7e2a5bdd8414e9e97bea998ebdfe1%7C0%7C0%7C638144179376955702%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=QEgkdnJO2NgvyMnC8EVk32s80j%2BD4ZGazmwJWsBcjEg%3D&reserved=0>. You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[zhi-wang]

Where/When/How did you get/compile the Tinker9 executable (from)? I believe the source code of your executable is older than the current version. Code to support cc89 was added about two months ago. If a newer cc is still missing, this error message would have been thrown from Line 154 but in your error message, the error was thrown from Line 149.

[keebborg]

Dear Zhi Wang,

Indeed, the problem was related to an older version of Tinker9 (was older than two months). Now it works without errors!

Thanks!