GROMACS cannot run tasks on a GPU.显示CUDA driver version和 CUDA runtime version不匹配，但是我...
...NOTE: Detection of GPUs failed. The API reported: GROMACS cannot run tasks on a GPU....
While it is possible to run a single application instance across multiple MIG instances, such as with MPI, MIG does not aim to offer any performance improvements for this use case. The primary aim of MIG is to facilitate multiple distinct application instances on each GPU. For more...
workload to a CUDA-compatible GPU. This is treated as part of the PP @@ -1171,9 +1173,9 @@ Performance considerations for GPU tasks #) The only way to know for sure what alternative is best for your machine is to test and check performance. .. TODO: we need to be more concrete...
cannot operate on scalar \Gromacs rvec types, but use separate SIMD variables for X,Y, and Z vector components. </dd> </dl> @@ -216,7 +216,7 @@ integers too. <dl> <dt>`#gmx_simd_int32_t`</dt> <dd> This is used for integers when converting to/from Gromacs default "real"...
Cannot run short-ranged nonbonded interactions on a GPU because there is none 不确定哪些可以用cpu...