Failed on different complexes for inference.py on CPU and GPU are different for different batch size

[srilekha1993]

Hi, I have tried running inference.py on 363 complexes given on testset_csv.csv. But getting failed cases on CPU are 21 complexes (linalg.svd: The algorithm failed to converge because the input matrix contained non-finite values) and on GPU are 16 complexes (CUDA out of memory) And 6hlb: which is not available in test data As our aim to check the CPU and GPU time comparison of the sets which are not showing any failed cases. So we again tested for CPU by removing 21 complexes but get again 14 failed cases(complexes) and after removing those 14 complexes get 16 complexes failed. For GPU , after removing 16 complexes we successfully run the rest complexes without any failed cases. The above experiments for (batch_size=10)

For batch_size = 1, For GPU get 29 failed complexes and for CPU Failed for 30 complexes. Got the error like below """" Failed on ['6mjj'] linalg.svd: (Batch element 2): The algorithm failed to converge because the input matrix contained non-finite values. """" Please let us know what is the reason behind this as we are getting different failed cases on cpu and gpu and for different batch size