[RMCProfile-users] [EXTERNAL] Run time while using RMCProfile

Zhang, Yuanpeng zhangy3 at ornl.gov
Fri Sep 18 14:01:28 BST 2020

Hi Sumit,

First, I think the running time to produce a reasonable RMC fit really depends on system and machine. So I think the best way to tell whether a good fit can be obtained in a reasonable time (say, within an hour) is to have a try on a machine and inspect the result frequently to get a feel about how much time is really needed.

Second, we do have Linux version of the program so you can grab it from sourceforge page: https://sourceforge.net/projects/rmcprofile/files/Version_6.7.8/. To run it on cluster, we may need a bit steps for which we don't have instructions yet (will produce, you actually remind me of that. Thank you!). But for now, if you are interested in running it on cluster and have problems figuring out how-to, please let me know!

For the school, usually ORNL will hold a summer school on total scattering every year which involves RMCProfile. But nowadays because of the special situation, I have no idea about what will happen. We will send out news about it if we do have updates on the school.



Dr. Yuanpeng Zhang
Computational Instrument Scientist
Spallation Neutron Source
Oak Ridge National Laboratory
1 bethel valley road, Oak Ridge, TN 37830, US
Mobile: +1(865)-335-4818
Email: zhangy3 at ornl.gov | Web: https://www.iris2020.net <https://www.iris2020.net/>

On 9/18/20, 3:57 AM, "rmcprofile-users on behalf of Sumit Khadka via rmcprofile-users" <rmcprofile-users-bounces at shadow.nd.rl.ac.uk on behalf of rmcprofile-users at shadow.nd.rl.ac.uk> wrote:

    Hi developers & RMCProfile Users,

    I have been trying to use RMCProfile for PDF data on disordered 2D
    materials. One obvious problem while using RMCProfile is the run time
    needed to produce any significant result, like in the tutorial of
    refinement of SF6 it has been mentioned that about 20 hrs is required to
    produce a useful model or fit. Are there ways that this run time could be
    decreased or at least have the program run in a cluster or something?

    Also, are you planning on organizing a school for RMCProfile anytime soon?


    Sumit Khadka
    University of Houston, Physics
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