[RMCProfile-users] RMCProfile GSAS-II MacOs 15.0.1

[Zhang, Yuanpeng]

Hi Tristan,

MacOS has its own way of managing libraries and it is a harsh requirement by the OS itself that we have to follow. So, the RMCProfile package has to be located in the `/Applications` directory. With this regard, there may be some little glitches in the implementation in GSAS-II (I suspect, but not sure). If for the moment you cannot get it working in GSAS-II, you can take the RMCProfile package as an independent package and prepare stuff just using the text-editor-based way. Basically, it is about manually populating the .dat file and preparing the necessary input files (total scattering data, Bragg data, etc.). GSAS-II can still be used for generating Bragg files and maybe the .dat file. It is just that we are not running RMCProfile fitting through GSAS-II (don’t get me wrong – if we can get the interface working to run RMC within GSAS-II, that is perfect. I will probably try to see whether we can get it working on MacOS, but I suppose this may take some time). If you have difficulties in running the RMCProfile package following the independent way, please feel free to reach out and I can for sure help.

Cheers,
Yuanpeng

--

Dr. Yuanpeng Zhang
Neutron Scattering 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<mailto:zhangy3 at ornl.gov> | Web: https://me.iris-home.net<https://me.iris-home.net/>

From: rmcprofile-users <rmcprofile-users-bounces at shadow.nd.rl.ac.uk> on behalf of Tristan Barbier via rmcprofile-users <rmcprofile-users at shadow.nd.rl.ac.uk>
Date: Thursday, October 31, 2024 at 05:27
To: rmcprofile-users at rmcprofile.org <rmcprofile-users at rmcprofile.org>
Cc: Tristan Barbier <tristan.barbier at ensicaen.fr>
Subject: [EXTERNAL] [RMCProfile-users] RMCProfile GSAS-II MacOs 15.0.1
Dear Community,

I've explored many topics in this forum, but I haven't found a solution to my issue, so I'm reaching out here.
My apologies if this has already been discussed.

I'm currently using RMCProfile (v6.7.9.5) within the GSAS-II software.
On Windows, it was straightforward to set up by placing the necessary RMCProfile files
(i.e., rmcprofile.exe and the two files in cuda_lib from RMCProfile_package/exe) in the main GSAS-II directory.
This approach allowed RMCProfile to work smoothly with GSAS-II.

However, I haven't been able to get RMCProfile working on MacOS (v15.0.1 - M1 Max).
I've tried placing the RMCProfile files in several locations, but I consistently receive the following error message:

«  RMCProfile is not correctly installed for use in GSAS-II.
Obtain the zip file distribution from https://urldefense.us/v2/url?u=http-3A__www.rmcprofile.org&d=DwIGaQ&c=v4IIwRuZAmwupIjowmMWUmLasxPEgYsgNI-O7C4ViYc&r=FFVJEhliaRWvn1o7oJgZImpxTRec6XXCpU8htYF_j4s&m=j-oMkFjIRrbF76BK3I1tpEwvJ4MKQga1hRpQbAJmD2udC-OM3ZChlr61uIUTrcfQ&s=2oRUMzoa6LCk7OYm8AvwwIqVvHZzash-RcgSSLIx0Nc&e= , unzip it, and place the RMCProfile main directory in the main GSAS-II directory. »

Has anyone encountered this issue on MacOS and found a workaround or solution?

Thank you very much for your assistance!

Best regards,

Tristan
-------------------------------------------------------
Tristan BARBIER
Maître de Conférences
ENSICAEN / CRISMAT
6 Bld Maréchal Juin 14050 Caen Cedex
Tel:   +33 (0) 231 452 617
Mob: +33 (0) 776 073 311




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