I tried to reinstall my conda environment, it still didn't work. Any suggestions?

Also,do you think that might be the BIOS problem again?

Hi Peter, I updated my BIOs according to your instruction, but I still get segmentation fault. Below is the result from "bt" command. Could you please take a look and let me know how to fix it? Thanks!!! Thread 1 "python" received signal SIGSEGV, Segmentation fault. 0x00007ffe65acbf70 in ?? () (gdb)...

The model name is Intel(R) Core(TM) i9-14900KF

The first step is to find out where the segfault is happening. You can do that by running your script inside gdb. Type "gdb python" from the console, then at the gdb prompt "run myscript.py", except using the actual name of your script and including any command line options. It will run until the s...

Here's the bt results: (gdb) bt #0 0x0000000000000000 in ?? () #1 0x000055555567ad5e in _PyEval_EvalFrameDefault (tstate=<optimized out>, f=0x555572829090, throwflag=<optimized out>) at /usr/local/src/conda/python-3.9.20/Python/ceval.c:3308 #2 0x000055555568ae2a in _PyEval_EvalFrame (throwflag=0, f=...

Hi Peter, thanks for reply. The thing is that mdtraj/utils/validation.py is the one caused the warning. Warning will show up every time but it's not the reason caused segmentation fault. Any other idea on fixing this?

Hi there, I'm using openmm running simulations for a transporter project with 155717 atoms. I keep getting "/home/ning/openmm/lib/python3.11/site-packages/mdtraj/utils/validation.py:123: TypeCastPerformanceWarning: Casting xyz dtype=float64 to <class 'numpy.float32'> warnings.warn( Segmentation faul...