diff --git a/stacks/pinot-noir/definitions_acc_cuda.yaml b/stacks/pinot-noir/definitions_acc_cuda.yaml index 1639b25fd0d0ac6ecf45b8cbd698083f812e2d10..d417ff13026d3a03fb780c42e85e56e778f9f553 100644 --- a/stacks/pinot-noir/definitions_acc_cuda.yaml +++ b/stacks/pinot-noir/definitions_acc_cuda.yaml @@ -4,6 +4,7 @@ definitions: - cuda_serial_codes: - cuda - cudnn + - namd@3.0.1 ^fftw ~mpi - namd@3.0.1 interface=tcl ^fftw ~mpi - nccl