diff --git a/stacks/pinot-noir/definitions_acc_cuda.yaml b/stacks/pinot-noir/definitions_acc_cuda.yaml index 30bdd68fb0213b67952710d81f977de319faadc7..026bd3fb0f7f9b23ff24c0fbb6617a4c8394a4b2 100644 --- a/stacks/pinot-noir/definitions_acc_cuda.yaml +++ b/stacks/pinot-noir/definitions_acc_cuda.yaml @@ -4,7 +4,7 @@ definitions: - cuda_serial_codes: - cuda - cudnn - - namd ^fftw ~mpi + - namd@3.0.1 ^fftw ~mpi - nccl - cuda_mpi_codes: