[Request for Error Troubleshooting] RuntimeError: CUDA error: CUBLAS_STATUS_INVALID_VALUE when calling cublasSgemm( handle, opa, opb, m, n, k, &alpha, a, lda, b, ldb, &beta, c, ldc)

[kskim-phd]

Dear Team;

Thank you for sharing this great platform!

I have set up according to your instruction but I got the following error when I command the training code :

python train_net.py
--config-file configs/esm35_evo1_initial_pdbonly.yaml
--num-gpus 1 SOLVER.SEQ_PER_BATCH 1
OUTPUT_DIR output/esm35_evo1/initial_pdbonly

This is error : RuntimeError: CUDA error: CUBLAS_STATUS_INVALID_VALUE when calling cublasSgemm( handle, opa, opb, m, n, k, &alpha, a, lda, b, ldb, &beta, c, ldc)

I have run this code with 1 GPU A6000.

Could you reply on how to solve this issue if possible? I deeply appreciate it.

[jmlee4967]

Thank you for your interest in this project!

This project has been tested with CUDA 11.3 and PyTorch 1.12, and it has dependencies on other projects(ex. fair-esm), so different versions may lead to errors.
While this error may suggest a mismatch between the ESM version and the CUDA version, providing your environment details would greatly assist in achieving a thorough understanding of the issue.

[kskim-phd]

Dear Team,
Yes, I will check the mismatch issue.

Thank you for your valuable comments.

In fact, I found that there was a setup error when I type the following original command you provided, under CUDA (11.3) and PyTorch (1.12):

pip install -v -U git+https://github.com/facebookresearch/xformers.git@b31f4a1#egg=xformers

Therefore, I cannot help but use the alternative following command:

wget https://anaconda.org/xformers/xformers/0.0.22/download/linux-64/xformers-0.0.22-py39_cu11.6.2_pyt1.12.1.tar.bz2
conda install ./xformers-0.0.22-py39_cu11.6.2_pyt1.12.1.tar.bz2

But this would require different CUDA and Pytorch version.

I will try to see if there is any other option to solve this issue in my end.

I greatly appreciate if you could provide any comment for it if possible.

Thank you!

[resplendentHSHI]

Hi, I had this exact issue. My problem arose when using biotite as the latest version. For me, the exact version of biotite required was not available for python = 3.8. You could try remaking the environment with python = 3.9.

There are a few issues in the code such as np.int being phased out and PIL using BILINEAR instead of LINEAR now, but those are easy fixes.

After I changed to the correct biotite version, this error went away. Hope this helps!

[kskim-phd]

Hi, I had this exact issue. My problem arose when using biotite as the latest version. For me, the exact version of biotite required was not available for python = 3.8. You could try remaking the environment with python = 3.9.

There are a few issues in the code such as np.int being phased out and PIL using BILINEAR instead of LINEAR now, but those are easy fixes.

After I changed to the correct biotite version, this error went away. Hope this helps!

Great! I sincerely thank you for your valuable comments!

[resplendentHSHI]

One more note, you might have some success with xformers v0.21 or v0.20 since v0.22's release is dated after solvent was published. For reference if other people also have this issue, I was able to run solvent using both a 3080 and a 4090.

[kskim-phd]

xformers v0.21 or v0.20

One more note, you might have some success with xformers v0.21 or v0.20 since v0.22's release is dated after solvent was published. For reference if other people also have this issue, I was able to run solvent using both a 3080 and a 4090.

Thank you for the great suggestion. I will try to check if it would work by using biotite with python 3.9 and xformers v0.21 or v0.20 as well !