From 79c1d4b664d04e09bcee32919ac0e9801f64039e Mon Sep 17 00:00:00 2001
From: Daniel J <daniel.jana@epfl.ch>
Date: Wed, 29 Jan 2025 19:10:52 +0100
Subject: [PATCH] Force namd to 3.0.1
---
stacks/pinot-noir/definitions_acc_cuda.yaml | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/stacks/pinot-noir/definitions_acc_cuda.yaml b/stacks/pinot-noir/definitions_acc_cuda.yaml
index 30bdd68..026bd3f 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:
--
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