Closed denizkavi closed 6 months ago
Hi,
While running the example ../run_RF2NA.sh rna_pred rna_binding_protein.fa R:RNA.fa command from the example folder. I get the following error:
../run_RF2NA.sh rna_pred rna_binding_protein.fa R:RNA.fa
Running on GPU plddt best Traceback (most recent call last): File "/home/azureuser/RoseTTAFold2NA/network/predict.py", line 374, in <module> pred.predict(inputs=args.inputs, out_prefix=args.prefix, ffdb=ffdb) File "/home/azureuser/RoseTTAFold2NA/network/predict.py", line 250, in predict self._run_model(Ls, msa_orig, ins_orig, t1d, t2d, xyz_t, xyz_t[:,0], alpha_t, same_chain, mask_t_2d, "%s_%02d"%(out_prefix, i_trial)) File "/home/azureuser/RoseTTAFold2NA/network/predict.py", line 296, in _run_model logit_s, logit_aa_s, logit_pae, p_bind, init_crds, alpha_prev, _, pred_lddt_binned, msa_prev, pair_prev, state_prev = self.model( File "/home/azureuser/.conda/envs/RF2NA/lib/python3.8/site-packages/torch/nn/modules/module.py", line 1130, in _call_impl return forward_call(*input, **kwargs) File "/home/azureuser/RoseTTAFold2NA/network/RoseTTAFoldModel.py", line 72, in forward msa_latent, pair, state = self.latent_emb(msa_latent, seq, idx, same_chain) File "/home/azureuser/.conda/envs/RF2NA/lib/python3.8/site-packages/torch/nn/modules/module.py", line 1130, in _call_impl return forward_call(*input, **kwargs) File "/home/azureuser/RoseTTAFold2NA/network/Embeddings.py", line 67, in forward msa = self.emb(msa) # (B, N, L, d_model) # MSA embedding File "/home/azureuser/.conda/envs/RF2NA/lib/python3.8/site-packages/torch/nn/modules/module.py", line 1130, in _call_impl return forward_call(*input, **kwargs) File "/home/azureuser/.conda/envs/RF2NA/lib/python3.8/site-packages/torch/nn/modules/linear.py", line 114, in forward return F.linear(input, self.weight, self.bias) RuntimeError: CUDA error: CUBLAS_STATUS_INVALID_VALUE when calling `cublasGemmEx( handle, opa, opb, m, n, k, &falpha, a, CUDA_R_16F, lda, b, CUDA_R_16F, ldb, &fbeta, c, CUDA_R_16F, ldc, CUDA_R_32F, CUBLAS_GEMM_DFALT_TENSOR_OP)`
The MSA step seems to have gone correctly, did anyone else have this error while running the example? Thanks.
Was able to resolve the issue by applying the following change to the conda environment: https://github.com/uw-ipd/RoseTTAFold2NA/issues/36#issuecomment-1851788518
Hi,
While running the example
../run_RF2NA.sh rna_pred rna_binding_protein.fa R:RNA.fa
command from the example folder. I get the following error:The MSA step seems to have gone correctly, did anyone else have this error while running the example? Thanks.