Changes between Version 17 and Version 18 of FAQ


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Timestamp:
Dec 22, 2010, 5:05:18 PM (10 years ago)
Author:
dtodd
Comment:

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  • FAQ

    v17 v18  
    1313'''[#WherecanIreadmoreaboutNMRsimulationandprocessing Where can I read more about NMR simulation and processing?]'''
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     15'''[#WhydoesSimulationappeartohangorslowdownforlargespinsystems Why does Simulation appear to hang or slow down for large spin systems?]'''
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    1617
     
    2021=== How do I download Vespa? ===
    2122You can download Vespa from the [wiki:Downloads Downloads] page.
     23
    2224=== How do I install Vespa? ===
    2325Complete instructions for installing Vespa are on the [wiki:Installation Installation] page.
     26
    2427=== Where do I find the Simulation User Manual? ===
    2528The User Manual documentation for the Simulation application is included in PDF format under the docs/ directory in the package that you downloaded. It can also be [browser:/trunk/docs/simulation_user_manual.pdf accessed directly here].
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    2630=== Where can I read more about NMR simulation and processing? ===
    2731[wiki:SpectralSimRef Here is a list of references for spectral simulation and processing]
     32
     33=== Why does Simulation appear to hang or slow down for large spin systems? ===
     34Simulation relies on the [gamma:wiki GAMMA] package. When doing calculations with a spin of 8,9, or 10, your system may appear to slow down or even hang. At a spin count of 7, a single FID experiment takes 0.4 seconds, but at spin 10 it takes 1 hour and 24 minutes (on a 2.66 GHz Intel machine). [gamma:GammaVsSpins Here is a list of results for various spin sizes]. The "slow down" may be compounded if doing a large number of individual simulations for different timings (or spacial locations). The time it takes to run these specific jobs is virtually identical in Gamma, as there is little overhead compared to the time of the calculations.
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