# Singularity image of Relion

**URL:** <https://forums.developer.nvidia.com/t/singularity-image-of-relion/65408>\
**Category:** Container: HPC\
**Created:** [September 21, 2018, 3:04pm UTC](https://forums.developer.nvidia.com/t/singularity-image-of-relion/65408 "2018-09-21T15:04:07Z")\
**Posts on this page:** 4\
**Page:** 1

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**Author:** ![igor.kozin](https://developer.download.nvidia.com/images/forums/profile-default-devtalk-84.png) [@igor.kozin](https://forums.developer.nvidia.com/u/igor.kozin)\
**Post date:** [September 21, 2018, 3:04pm UTC](https://forums.developer.nvidia.com/t/singularity-image-of-relion/65408/1 "2018-09-21T15:04:07Z")

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I’ve been trying to get Singularity image of Relion Docker container ([GPU-optimized AI, Machine Learning, & HPC Software | NVIDIA NGC](https://ngc.nvidia.com/registry/hpc-relion)) working on our HPC cluster with P100 and V100 nodes.  
I was able to create the image (it’s very easy) and even to run it on my workstation with 2x 1080Ti. No problems.  
But when I run it on the cluster I get

ERROR: all CUDA-capable devices are busy or unavailable in /opt/relion-sm70/src/gpu\_utils/cuda\_projector.cu at line 115 (error-code 46)

which is not true. Even if I run nvidia-smi through the very same image it tells me all four GPUs are free. The same error happens on P100 and V100 nodes. My workstation isn’t really much different from the cluster environment. Both are CentOS 7, the same driver version:  
NVIDIA-SMI 396.26 Driver Version: 396.26

Any hints are most welcome. I can send the full output if necessary. The error happens straight after

Running CPU instructions in double precision.

- On host gpu03.prv.davros.compute.estate: free scratch space = 539 Gb.  
Copying particles to scratch directory: /scratch/tmp.14368/relion\_volatile/  
1.30/1.30 min …~~(,\_,"\>  
Estimating initial noise spectra  
58/ 58 sec …~~(,\_,"\>  
CurrentResolution= 60.2998 Angstroms, which requires orientationSampling of at least 18.9474 degrees for a particle of diameter 360 Angstroms  
Oversampling= 0 NrHiddenVariableSamplingPoints= 580608  
OrientationalSampling= 15 NrOrientations= 4608  
TranslationalSampling= 2 NrTranslations= 21  
=============================  
Oversampling= 1 NrHiddenVariableSamplingPoints= 18579456  
OrientationalSampling= 7.5 NrOrientations= 36864  
TranslationalSampling= 1 NrTranslations= 84  
=============================

Thanks in advance!

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<div class="post-metadata">

**Author:** ![igor.kozin](https://developer.download.nvidia.com/images/forums/profile-default-devtalk-84.png) [@igor.kozin](https://forums.developer.nvidia.com/u/igor.kozin)\
**Post date:** [September 25, 2018, 12:15pm UTC](https://forums.developer.nvidia.com/t/singularity-image-of-relion/65408/2 "2018-09-25T12:15:35Z")

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The issue appears to be related to Compute Mode settings of the cards. The workstation cards were set to Default while the HPC cluster cards were set to Exclusive\_Process. Changing them to Default resolved the problem.

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**Author:** ![underoath006](https://developer.download.nvidia.com/images/forums/profile-default-devtalk-84.png) [@underoath006](https://forums.developer.nvidia.com/u/underoath006)\
**Post date:** [October 6, 2020, 7:33pm UTC](https://forums.developer.nvidia.com/t/singularity-image-of-relion/65408/3 "2020-10-06T19:33:11Z")

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Hi I’m new to singularity, I built the same image with singularity build --name my\_relion.simg docker://nvcr.io/hpc/relion:3.1.0

I tried ./my\_relion.simg and singularity run --nv my\_relion.simg, it says relion command not found! I would appreciate your input!

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**Author:** ![TomNVIDIA](https://sea2.discourse-cdn.com/nvidia/user_avatar/forums.developer.nvidia.com/tomnvidia/32/14181_2.png) [@TomNVIDIA](https://forums.developer.nvidia.com/u/TomNVIDIA)\
**Post date:** [October 12, 2021, 4:29pm UTC](https://forums.developer.nvidia.com/t/singularity-image-of-relion/65408/4 "2021-10-12T16:29:06Z")

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