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some problem when installing autosolvate in PASCAL #55

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SangniXun opened this issue Jul 3, 2024 · 0 comments
Open

some problem when installing autosolvate in PASCAL #55

SangniXun opened this issue Jul 3, 2024 · 0 comments

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@SangniXun
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When Brusha and I tried to install autosolvate main branch on PACSCAL, it will have the following error when we tested "autosolvate -h"
I think it is the problem of mdtraj or our system is too old.

Traceback (most recent call last):
File "/home/bshralam/anaconda3/envs/autosolvate/bin/autosolvate", line 5, in
from autosolvate.main import main
File "/home/bshralam/anaconda3/envs/autosolvate/lib/python3.8/site-packages/autosolvate/init.py", line 9, in
from .clustergen import *
File "/home/bshralam/anaconda3/envs/autosolvate/lib/python3.8/site-packages/autosolvate/clustergen.py", line 3, in
import mdtraj as md
File "/home/bshralam/anaconda3/envs/autosolvate/lib/python3.8/site-packages/mdtraj/init.py", line 54, in
from ._rmsd import rmsd, rmsf
ImportError: dlopen: cannot load any more object with static TLS
(autosolvate) [bshralam@pascal ~]$ autosolvate -h > error
Traceback (most recent call last):
File "/home/bshralam/anaconda3/envs/autosolvate/bin/autosolvate", line 5, in
from autosolvate.main import main
File "/home/bshralam/anaconda3/envs/autosolvate/lib/python3.8/site-packages/autosolvate/init.py", line 9, in
from .clustergen import *
File "/home/bshralam/anaconda3/envs/autosolvate/lib/python3.8/site-packages/autosolvate/clustergen.py", line 3, in
import mdtraj as md
File "/home/bshralam/anaconda3/envs/autosolvate/lib/python3.8/site-packages/mdtraj/init.py", line 54, in
from ._rmsd import rmsd, rmsf
ImportError: dlopen: cannot load any more object with static TLS

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