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An error occurred during the testing of the ProteinMPNN FastRelax Environment. #83

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AIM132 opened this issue May 9, 2024 · 2 comments

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@AIM132
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AIM132 commented May 9, 2024

An error occurred during the testing of the ProteinMPNN FastRelax Environment. The error is as follows. Does anyone know how to resolve it? Thank you very much

/home/L/dl_binder_design-main/include/importtests/proteinmpnn_importtest.py:11: UserWarning: Import of 'rosetta' as a top-level module is deprecated and may be removed in 2018, import via 'pyrosetta.rosetta'.
from rosetta import *
┌──────────────────────────────────────────────────────────────────────────────┐
│ PyRosetta-4 │
│ Created in JHU by Sergey Lyskov and PyRosetta Team │
│ (C) Copyright Rosetta Commons Member Institutions │
│ │
│ NOTE: USE OF PyRosetta FOR COMMERCIAL PURPOSES REQUIRE PURCHASE OF A LICENSE │
│ See LICENSE.PyRosetta.md or email [email protected] for details │
└──────────────────────────────────────────────────────────────────────────────┘
PyRosetta-4 2024 [Rosetta PyRosetta4.conda.linux.cxx11thread.serialization.CentOS.python311.Release 2024.19+release.a34b73c40fe9c61558d566d6a63f803cfb15a4fc 2024-05-02T16:22:03] retrieved from: http://www.pyrosetta.org
core.init: Checking for fconfig files in pwd and ./rosetta/flags
core.init: Rosetta version: PyRosetta4.conda.linux.cxx11thread.serialization.CentOS.python311.Release r381 2024.19+release.a34b73c a34b73c40fe9c61558d566d6a63f803cfb15a4fc http://www.pyrosetta.org 2024-05-02T16:22:03
core.init: Rosetta extras: [cxx11thread, serialization]
core.init: command: PyRosetta -ex1 -ex2aro -database /home/L/miniconda3/envs/proteinmpnn_binder_design/lib/python3.11/site-packages/pyrosetta/database
basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=284475851 seed_offset=0 real_seed=284475851 thread_index=0
basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=284475851 RG_type=mt19937
Traceback (most recent call last):
File "/home/L/dl_binder_design-main/include/importtests/proteinmpnn_importtest.py", line 15, in
import torch
File "/home/L/miniconda3/envs/proteinmpnn_binder_design/lib/python3.11/site-packages/torch/init.py", line 229, in
from torch._C import * # noqa: F403
^^^^^^^^^^^^^^^^^^^^^^
ImportError: /home/L/miniconda3/envs/proteinmpnn_binder_design/lib/python3.11/site-packages/torch/lib/libtorch_cpu.so: undefined symbol: iJIT_NotifyEvent

@AIM132
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AIM132 commented May 9, 2024

I used Conda to build the environment, then installed the package within the environment, and finally solved the problem

@matiaszunigabustos
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I edited the .yml file and in the 'dependencies' section, I added the line '- mkl==2024.0' and it worked correctly.

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