pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices.
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parallel installation for multiple version of CUDA/python? #4
I am trying to build the cuda version for multiple GPU cards and different CUDA versions...So far we have CUDA 4.2.9/5.0.35 and 5.5.11 dans a wide range of cards K10/K20/GTX-Titan/GTX-680. If I am reading the build.py correctly, I can't have all the combinations cleanly install in a single place and only load the right python module/CUDA at runtime.
ie: module load cuda/4.2.9 and have python choose the right gpu target
Hi,
I am trying to build the cuda version for multiple GPU cards and different CUDA versions...So far we have CUDA 4.2.9/5.0.35 and 5.5.11 dans a wide range of cards K10/K20/GTX-Titan/GTX-680. If I am reading the build.py correctly, I can't have all the combinations cleanly install in a single place and only load the right python module/CUDA at runtime.
ie: module load cuda/4.2.9 and have python choose the right gpu target
Thanks
Tru