Dear Amber Users!
I am going to install amber22 with the cuda support to execute md
simulations using 2 Nividia GPUs.
| NVIDIA-SMI 510.47.03 Driver Version: 510.47.03 CUDA Version: 11.6 |
|-------------------------------+----------------------+----------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. |
| | | MIG M. |
|===============================+======================+======================|
| 0 NVIDIA RTX A6000 Off | 00000000:17:00.0 Off | Off |
| 30% 49C P8 21W / 300W | 10MiB / 49140MiB | 0% Default |
| | | N/A |
+-------------------------------+----------------------+----------------------+
| 1 NVIDIA RTX A6000 Off | 00000000:73:00.0 On | Off |
| 30% 57C P8 39W / 300W | 773MiB / 49140MiB | 2% Default |
| | | N/A |
+-------------------------------+----------------------+----------------------+
I have some issue related to the installation of the CUDA driver
required prior to the installation of the Amber.
First I've tried to do it via downloading the deb package for
cuda-toolkut 11.7 from the Nvidia web. This gives me the error during
the installation process related to the dependencies.
Then I've tried to install it via
sudo apt install nvidia-cuda-toolkit
Which Installed previous version of the cuda driver
vcc --version
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2019 NVIDIA Corporation
Built on Sun_Jul_28_19:07:16_PDT_2019
Cuda compilation tools, release 10.1, V10.1.243
May I use it with the amber 22 or need to do further update ?
Cheers
Enrico
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Received on Thu Aug 04 2022 - 13:34:48 PDT
