python importtests/af2_importtest.py
/vast/scratch/users/zhu.d/PyRosetta/pyrosetta-env/lib/python3.10/site-packages/Bio/Data/SCOPData.py:18: BiopythonDeprecationWarning: The 'Bio.Data.SCOP
Data' module will be deprecated in a future release of Biopython in favor of 'Bio.Data.PDBData.
warnings.warn(
///////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////
Testing PyRosetta install. If this script errors before you see a PyRosetta success message then you have an issue with your PyRosetta install
///////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////
/vast/scratch/users/zhu.d/PyRosetta/dl_binder_design/include/importtests/af2_importtest.py:61: UserWarning: Import of 'rosetta' as a top-level module i
s deprecated and may be removed in 2018, import via 'pyrosetta.rosetta'.
from rosetta import *
PyRosetta-4 2022 [Rosetta PyRosetta4.Release.python310.linux 2022.39+release.d8d9982120b445e65d19d1e63ccc663cc1d639e8 2022-09-28T17:13:34] retrieved fr
om: http://www.pyrosetta.org
(C) Copyright Rosetta Commons Member Institutions. Created in JHU by Sergey Lyskov and PyRosetta Team.
core.init: Checking for fconfig files in pwd and ./rosetta/flags
core.init: Rosetta version: PyRosetta4.Release.python310.linux r331 2022.39+release.d8d9982 d8d9982120b445e65d19d1e63ccc663cc1d639e8 http://www.pyroset
ta.org 2022-09-28T17:13:34
core.init: command: PyRosetta -ex1 -ex2aro -database /vast/scratch/users/zhu.d/PyRosetta/pyrosetta-env/lib/python3.10/site-packages/pyrosetta-2022.39+r
elease.d8d9982-py3.10-linux-x86_64.egg/pyrosetta/database
basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=666666647 seed_offset=0 real_seed=666666647
basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=666666647 RG_type=mt19937
//////////////////////////////////////////////////////////////////////
PyRosetta installation was successful!
//////////////////////////////////////////////////////////////////////
An NVIDIA GPU may be present on this machine, but a CUDA-enabled jaxlib is not installed. Falling back to cpu.
//////////////////////////////////////////////////////////////////////
No GPU found! This environment passes all import tests, but will not be able to use a GPU!!
//////////////////////////////////////////////////////////////////////
My coda version is 11.3 "Cuda compilation tools, release 11.3, V11.3.109", and my tax/jaxlib=0.4.20, I tried to change to jax[cuda113_pip]==0.4.20 or jax[cuda11_pip]==0.4.20, which is not helpful.
python importtests/af2_importtest.py /vast/scratch/users/zhu.d/PyRosetta/pyrosetta-env/lib/python3.10/site-packages/Bio/Data/SCOPData.py:18: BiopythonDeprecationWarning: The 'Bio.Data.SCOP Data' module will be deprecated in a future release of Biopython in favor of 'Bio.Data.PDBData. warnings.warn( /////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////// Testing PyRosetta install. If this script errors before you see a PyRosetta success message then you have an issue with your PyRosetta install /////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////// /vast/scratch/users/zhu.d/PyRosetta/dl_binder_design/include/importtests/af2_importtest.py:61: UserWarning: Import of 'rosetta' as a top-level module i s deprecated and may be removed in 2018, import via 'pyrosetta.rosetta'. from rosetta import * PyRosetta-4 2022 [Rosetta PyRosetta4.Release.python310.linux 2022.39+release.d8d9982120b445e65d19d1e63ccc663cc1d639e8 2022-09-28T17:13:34] retrieved fr om: http://www.pyrosetta.org (C) Copyright Rosetta Commons Member Institutions. Created in JHU by Sergey Lyskov and PyRosetta Team. core.init: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: PyRosetta4.Release.python310.linux r331 2022.39+release.d8d9982 d8d9982120b445e65d19d1e63ccc663cc1d639e8 http://www.pyroset ta.org 2022-09-28T17:13:34 core.init: command: PyRosetta -ex1 -ex2aro -database /vast/scratch/users/zhu.d/PyRosetta/pyrosetta-env/lib/python3.10/site-packages/pyrosetta-2022.39+r elease.d8d9982-py3.10-linux-x86_64.egg/pyrosetta/database basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=666666647 seed_offset=0 real_seed=666666647 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=666666647 RG_type=mt19937 ////////////////////////////////////////////////////////////////////// PyRosetta installation was successful! ////////////////////////////////////////////////////////////////////// An NVIDIA GPU may be present on this machine, but a CUDA-enabled jaxlib is not installed. Falling back to cpu. ////////////////////////////////////////////////////////////////////// No GPU found! This environment passes all import tests, but will not be able to use a GPU!! //////////////////////////////////////////////////////////////////////
My coda version is 11.3 "Cuda compilation tools, release 11.3, V11.3.109", and my tax/jaxlib=0.4.20, I tried to change to jax[cuda113_pip]==0.4.20 or jax[cuda11_pip]==0.4.20, which is not helpful.
Thanks