Failing to run DeepCE

[HumayRaphael]

Hello,

There are several issues when I run DeepCE:

• conda install numpy scipy scikit-learn rdkit pytorch command does not work properly, it needs to be updated.

• In my local macbook, when I try to run DeepCE I get segmentation fault,

• When I try to run DeepCE in a different server, I get Exception raised from deviceCount at /pytorch/aten/src/ATen/hip/impl/HIPGuardImplMasqueradingAsCUDA.h:102 (most recent call first): frame #0: c10::Error::Error(c10::SourceLocation, std::string) + 0x42 (0x14cb04513212 in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libc10.so) frame #1: <unknown function> + 0x5618da (0x14cb1a2768da in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libtorch_hip.so) frame #2: torch::autograd::Engine::start_device_threads() + 0x21a (0x14cb508023aa in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libtorch_cpu.so) frame #3: <unknown function> + 0x1247f (0x14cb6676547f in /lib/x86_64-linux-gnu/libpthread.so.0) frame #4: torch::autograd::Engine::initialize_device_threads_pool() + 0xcd (0x14cb5080119d in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libtorch_cpu.so) frame #5: torch::autograd::Engine::execute_with_graph_task(std::shared_ptr<torch::autograd::GraphTask> const&, std::shared_ptr<torch::autograd::Node>, torch::autograd::InputBuffer&&) + 0x28 (0x14cb50808058 in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libtorch_cpu.so) frame #6: torch::autograd::python::PythonEngine::execute_with_graph_task(std::shared_ptr<torch::autograd::GraphTask> const&, std::shared_ptr<torch::autograd::Node>, torch::autograd::InputBuffer&&) + 0x3c (0x14cb6409dffc in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libtorch_python.so) frame #7: torch::autograd::Engine::execute(std::vector<torch::autograd::Edge, std::allocator<torch::autograd::Edge> > const&, std::vector<at::Tensor, std::allocator<at::Tensor> > const&, bool, bool, bool, std::vector<torch::autograd::Edge, std::allocator<torch::autograd::Edge> > const&) + 0x900 (0x14cb50806280 in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libtorch_cpu.so) frame #8: torch::autograd::python::PythonEngine::execute(std::vector<torch::autograd::Edge, std::allocator<torch::autograd::Edge> > const&, std::vector<at::Tensor, std::allocator<at::Tensor> > const&, bool, bool, bool, std::vector<torch::autograd::Edge, std::allocator<torch::autograd::Edge> > const&) + 0x56 (0x14cb6409df56 in /ext3/miniconda3/lib/python3.9/site-packages/torch/lib/libtorch_python.so)

Do you know how to resolve these issues?