NMR Spin-evolution simulations

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SUMMARY

The discussion centers on issues encountered while running NMR spin-evolution simulations using the Spinevolution software. The user, Peter, reports an error related to memory allocation when attempting to simulate 12 spin 1/2 nuclei, specifically receiving a message about failing to allocate 128MB of memory. Responses suggest that memory allocation can be problematic with complex simulations and recommend starting from simpler configurations. Additionally, it is noted that MATLAB can handle simulations involving up to approximately 10 spins.

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peterjaybee
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Hello, I have been running spin evolutions with 8 spin 1/2 nuclei, but I am having issues increasing the number of spin 1/2 nuclei to 12. I get the following error message in command prompt.

Firstly Spinevolution appears to be loading as normal, but then after a minute or so the simulation stops and the screen reads "Error encountered whileallocating 128MB of memory, Error computation failed"

This has happened on two separate pc's and so is unlikely to be a fault with the pc.

Does anyone know what this message means and if there is a way around it by changing settings or something?

Kind Regards,

Peter
 
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Um, this forum is about physics. Software tech support questions are better posed to the people who made the software.
 
You may need to write your own script for this one. While I have never simulated density matrices of this complexity, I have heard that memory allocation issues can become as issue unless you start from the bottom up for you simulation. Look around though, since many groups have already written "canned" scripts for this. MATLAB should handle up to ~10 spins if I'm not mistaken. Hope this helps
 
Thanks, ill have a look
 

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