From 74798bc214f20fa57612d4fc00f9040c8fdb1589 Mon Sep 17 00:00:00 2001 From: Raul Date: Tue, 5 Sep 2023 14:37:00 +0200 Subject: [PATCH] Clone the module on TorchForceImpl initialization to avoid several (#116) contexts sharing the same model --- openmmapi/src/TorchForceImpl.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openmmapi/src/TorchForceImpl.cpp b/openmmapi/src/TorchForceImpl.cpp index 054bc846..61c9b5be 100644 --- a/openmmapi/src/TorchForceImpl.cpp +++ b/openmmapi/src/TorchForceImpl.cpp @@ -46,7 +46,7 @@ TorchForceImpl::~TorchForceImpl() { } void TorchForceImpl::initialize(ContextImpl& context) { - auto module = owner.getModule(); + auto module = owner.getModule().clone(); // Create the kernel. kernel = context.getPlatform().createKernel(CalcTorchForceKernel::Name(), context); kernel.getAs().initialize(context.getSystem(), owner, module);