Comments (4)
Hi @sonatav2 - thanks for bringing this to my attention. I'll try to reproduce it on my end, but since you're looking at high energy heavy ion sputtering simulations, I agree with your assessment that this is an issue with RustBCA using too much memory.
Can you try increasing num_chunks (looks like it's on line 294 of the attached version of the python script) from 10 to 100, or even 1000? That will reduce the number of particles held in memory at one time and let the code print more often to the output files.
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@dcurreli Hi Davide - yep, it's using the older input file version before I switched to the getdp-style version. The quickest way to convert it to the most recent version of RustBCA is to use 0D mode instead by changing densities
to [n]
from [[n, n]]
, adding electronic_stopping_factor = 1.0
, and running with cargo run --release 0D neon_tungsten_.toml
. It'll ignore the extra options in the input file.
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When I try to run the .toml
here attached I get a mismatch on the data types for triangles
. In the geometry block, triangles
is expecting a list of int
(three vertices from points that make up each triangle), but here the .toml
file has a list of float
. Points
are also missing.
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Thanks @drobnyjt ! I increased num_chunks to 1000 and started running simulations at 2.0264e+4 eV, where they were crashing before. The simulations are completing and printing non-zero sputtering yields.
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Related Issues (20)
- [bug] Issue with generate_rustbca_input in scripts HOT 1
- [benchmark] Comparison to Results in 'Nuclear Stopping Powers for DFT Potentials with an Attractive Well'
- [feature] Customizable low energy electronic stopping mode
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- [benchmark] Xenon on Carbon Sputtering Yields HOT 3
- [benchmark] D on Be implantation profiles from MD
- [question] What happens if running a trimesh object that is not watertight? HOT 2
- [bug] Carbon Z in materials.py should be a float HOT 1
- [question] Error in trimesh implementation despite watertight and fix_normals? HOT 3
- [bug] No specific error message associated with Mesh2D inputs that have zero-length electronic stopping correction factor lists
- Most .toml examples in the examples/ directory won't run HOT 5
- [feature] Add comment to example input files specifying input mode HOT 1
- [bug] Error in Bohdansky sputtering yield formula in formulas.py
- [bug] rare issue with planar surface binding potential in Mesh2D case HOT 2
- [bug] Coordinate rotation function breaks down when normal vector too close to (1.0, 0.0, 0.0)
- [question] error message significance to sputtering yield result HOT 2
- [question]How to customize the crystal structure and PKA direction HOT 2
- What does the 50.0 and 1e6 define in the last bracket? HOT 5
- [question] Sign conventions for ux, uy, uz (0D RustBCA geometry) HOT 2
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