diff --git a/stacks/pinot-noir/definitions_acc_cuda.yaml b/stacks/pinot-noir/definitions_acc_cuda.yaml index 026bd3fb0f7f9b23ff24c0fbb6617a4c8394a4b2..1639b25fd0d0ac6ecf45b8cbd698083f812e2d10 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@3.0.1 ^fftw ~mpi + - namd@3.0.1 interface=tcl ^fftw ~mpi - nccl - cuda_mpi_codes: diff --git a/stacks/pinot-noir/modules_common.yaml b/stacks/pinot-noir/modules_common.yaml index fc274c7ae2088b0476c837ed81714b5d9f2d7a16..135e4d565bea584df6ef0f3dd3438807e2ad29e6 100644 --- a/stacks/pinot-noir/modules_common.yaml +++ b/stacks/pinot-noir/modules_common.yaml @@ -30,6 +30,7 @@ modules: '+ilp64': int64 '+int64': int64 'version_suffix=jl': julia + 'interface=tcl': tcl autoload: run hide_implicits: true diff --git a/stacks/pinot-noir/packages_acc_cuda.yaml b/stacks/pinot-noir/packages_acc_cuda.yaml index f4eccc4f58d3513614e39f544fcff836ce49268e..173f602b5bfac016ac2288fa29bb4b8b552d6c6b 100644 --- a/stacks/pinot-noir/packages_acc_cuda.yaml +++ b/stacks/pinot-noir/packages_acc_cuda.yaml @@ -49,7 +49,7 @@ packages: require: ['+cuda', 'cuda_arch={cuda_arch}'] namd: - require: ['+cuda', '+single_node_gpu', 'cuda_arch={cuda_arch}'] + require: ['+cuda', '+single_node_gpu', 'cuda_arch={cuda_arch}', 'interface=tcl'] nvshmem: require: