3dem / relion

Image-processing software for cryo-electron microscopy
https://relion.readthedocs.io/en/latest/
GNU General Public License v2.0
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AreTomo executable was not found #1150

Open lmcarreira opened 2 months ago

lmcarreira commented 2 months ago

This is a template for reporting bugs. Please fill in as much information as you can.

Describe your problem

I was trying to run the new Relion 5 Tomo but unfortunately it seems not to find AreTomo to perform tilt-series alignements.

Job options:

Error message:

Please cite the full error message as the example below.

/home/lucarreir/miniconda3/envs/relion-5.0/lib/python3.10/site-packages/starfile/parser.py:177: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use sep='\s+' instead df = pd.read_csv( /home/lucarreir/miniconda3/envs/relion-5.0/lib/python3.10/site-packages/starfile/parser.py:194: FutureWarning: errors='ignore' is deprecated and will raise in a future version. Use to_numeric without passing errors and catch exceptions explicitly instead self.dataframes[key] = df.apply(pd.to_numeric, errors='ignore') /home/lucarreir/miniconda3/envs/relion-5.0/lib/python3.10/site-packages/starfile/parser.py:177: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use sep='\s+' instead df = pd.read_csv( /home/lucarreir/miniconda3/envs/relion-5.0/lib/python3.10/site-packages/starfile/parser.py:194: FutureWarning: errors='ignore' is deprecated and will raise in a future version. Use to_numeric without passing errors and catch exceptions explicitly instead self.dataframes[key] = df.apply(pd.to_numeric, errors='ignore') [14:25:31] ERROR: alignment for TS_030 failed with align_tilt_series.py:73 error: AreTomo executable was not found.
Put 'AreTomo' on the PATH to proceed.

rdrighetto commented 2 months ago

Hi @lmcarreira,

You need to make sure that you have AreTomo installed and that the binary is available in your PATH environment variable before launching RELION, as suggested by the error message. Something like this:

export PATH=/path/to/folder/of/AreTomo/:$PATH (you can add the line above to your ~/.bashrc file to make it persistent)

If you are on an HPC cluster where AreTomo is available as a module, make sure to load that module before launching RELION.

lmcarreira commented 2 months ago

Hi @rdrighetto, thanks for the reply.

rdrighetto commented 2 months ago

Are you submitting the job to a cluster e.g. with SLURM? If so, you have to make sure that the AreTomo module (or PATH) is properly loaded in the submission script.

Furthermore, is the binary located in /mpcdf/soft/local/AreTomo-1.3.3/ called just AreTomo or something different, like AreTomo_1.3.4_Cuda118_Feb22_2023 for example? If there is no binary called simply AreTomo but something different like above, you can create an alias or (better) a link to it and call it AreTomo so that RELION can find it.