I am in the process of updating to the latest version of ACEMD, following the guidelines provided in the documentation. Could you please provide some guidance on this matter?
Here are the commands I've executed:
bash
Copy code
$ conda create -n acemd_env -c conda-forge -c acellera acemd
$ conda activate acemd_env
However, I've encountered an error with the new installation.
Thank you for your assistance.
from log.txt file
Setting up platform: CUDA
Interactions: 1 2 3 4 5 7 11 11 12 13
ACEMD failed:
Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at /home/conda/feedstock_root/build_artifacts/openmm_1646184895248/work/platforms/cuda/src/CudaContext.cpp:139
Cuda Version :
Sat Nov 4 20:30:52 2023
+---------------------------------------------------------------------------------------+
| NVIDIA-SMI 530.30.02 Driver Version: 530.30.02 CUDA Version: 12.1 |
|-----------------------------------------+----------------------+----------------------+
| 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 Tesla T4 Off| 00000000:3B:00.0 Off | 0 |
| N/A 20C P8 9W / 70W| 73MiB / 15360MiB | 0% Default |
| | | N/A |
+-----------------------------------------+----------------------+----------------------+
+---------------------------------------------------------------------------------------+
| Processes: |
| GPU GI CI PID Type Process name GPU Memory |
| ID ID Usage |
|=======================================================================================|
+---------------------------------------------------------------------------------------+
vas2201
commented
8 months ago
Hello,
I am in the process of updating to the latest version of ACEMD, following the guidelines provided in the documentation. Could you please provide some guidance on this matter?
Here are the commands I've executed:
bash Copy code $ conda create -n acemd_env -c conda-forge -c acellera acemd $ conda activate acemd_env However, I've encountered an error with the new installation.
Thank you for your assistance.
from log.txt file
Setting up platform: CUDA
Interactions: 1 2 3 4 5 7 11 11 12 13
ACEMD failed: Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at /home/conda/feedstock_root/build_artifacts/openmm_1646184895248/work/platforms/cuda/src/CudaContext.cpp:139
Cuda Version :
Sat Nov 4 20:30:52 2023
+---------------------------------------------------------------------------------------+ | NVIDIA-SMI 530.30.02 Driver Version: 530.30.02 CUDA Version: 12.1 | |-----------------------------------------+----------------------+----------------------+ | 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 Tesla T4 Off| 00000000:3B:00.0 Off | 0 | | N/A 20C P8 9W / 70W| 73MiB / 15360MiB | 0% Default | | | | N/A | +-----------------------------------------+----------------------+----------------------+
+---------------------------------------------------------------------------------------+ | Processes: | | GPU GI CI PID Type Process name GPU Memory | | ID ID Usage | |=======================================================================================| +---------------------------------------------------------------------------------------+