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CCPEM  April 2024

CCPEM April 2024

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Subject:

Re: Issue Running GPU-Optimized Jobs in Relion3.1

From:

Takanori Nakane <[log in to unmask]>

Reply-To:

Takanori Nakane <[log in to unmask]>

Date:

Sat, 20 Apr 2024 21:06:51 +0900

Content-Type:

text/plain

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Parts/Attachments

text/plain (96 lines)

Hi,

This should be fine; see
https://docs.nvidia.com/deploy/cuda-compatibility/index.html
for the details.

Best regards,

Takanori Nakane

On 4/20/24 21:03, Victor Banerjee wrote:
> Hey Takanori, thanks! I'll get on that. I've noticed something weird 
> though. When I type 'nvidia-smi' it shows CUDA 12.4, but my workstation 
> only has CUDA 11.8 installed (/usr/local). When I try to install relion 
> during the 'make' step, it says it found CUDA 11.8. Could that be 
> causing the problem?
> 
> Thanks,
> Victor
> 
> 
> On Fri, Apr 19, 2024 at 4:02 PM Takanori Nakane 
> <[log in to unmask] <mailto:[log in to unmask]>> 
> wrote:
> 
>     Hi,
> 
>     Why are you using such an old version of RELION?
> 
>     The best way forward is to compile the latest version of RELION
>     with the right version of CUDA SDK.
>     Make sure RELION is NOT linked to packages (CUDA, MPI runtime etc)
>     provided by other software suites (e.g. CCPEM, conda, CryoSPARC)
>     by checking PATH and LD_LIBRARY_PATH. Use `which` and `ldd`.
> 
>     Best regards,
> 
>     Takanori Nakane
> 
>     On 4/20/24 04:36, Victor Banerjee wrote:
>      > Hi,
>      > Recently, we've encountered an issue with our workstation when
>     attempting to run GPU-optimized jobs in Relion3.1. Specifically,
>     we're encountering the following error:
>      > "ERROR: out of memory in
>     /usr/local/relion-3.1-source/src/acc/cuda/custom_allocator.cuh at
>     line 436 (error-code 2)
>      > in: /usr/local/relion-3.1-source/src/acc/cuda/cuda_settings.h,
>     line 67
>      > ERROR: A GPU-function failed to execute.
>      >
>      > If this occurred at the start of a run, you might have GPUs which
>     are incompatible with either the data or your installation of
>     Relion. If you:
>      >
>      > -> INSTALLED RELION YOURSELF: if you e.g. specified
>     -DCUDA_ARCH=50 and are trying to run on a compute 3.5 GPU
>     (-DCUDA_ARCH=3.5), this may happen."
>      >
>      > A few weeks ago, we installed Cryosparc, but we're uncertain if
>     this installation is related to the issue, as Relion was functioning
>     properly subsequent to the installation. The workstation is equipped
>     with four GPUs (RTX A6000). Even when attempting to utilize the
>     tutorial data, we're encountering the same error. We've attempted to
>     resolve the issue by reinstalling Relion on the workstation,
>     unfortunately without success.
>      >
>      > I'm reaching out to inquire if anyone has experienced a similar
>     issue and if they might have any insights or recommendations to
>     resolve it. Any assistance or guidance you could provide would be
>     greatly appreciated.
>      > Thank you for your attention to this matter.
>      >
>      > Best regards,
>      >
>      >
>     ########################################################################
>      >
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