See the thread here for a recent post about using topas Bragg in RMCProfile.

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Issue with RMCProfile V6.7.9 Linux GPU Request for Assistance
#1
I am writing to inform you about an issue I have encountered with the RMCProfile V6.7.9 Linux GPU that I downloaded from
https://sourceforge.net/projects/rmcprof...z/download. Unfortunately, the program stops functioning and displays an error message at the end of the execution log.
 
Below is a snippet of the execution log:
 
 Use CUDA version
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----------------------------------------------------------------------------
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            RMCProfile version 6.7.9.5
            ==========================
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Version type: Version with molecular constraints and EXAFS
Version date: Aug-22-2023::01
Release notes: Robust XRAY implementation; auto weights adjustment; topas profile for Bragg
Using files: [font=游ゴシック]ABCD[/font]
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----------------------------------------------------------------------------
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 THREADS_numbr =           24
 THREADS_id =            0
 THREADS_id =            5
 THREADS_id =           21
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[font=游ゴシック]…[/font]
 
 Info> Boltzmann temperature is   2.47771265600000    
 
 No atom swap moves will be generated,
 atoms will only be translated.
 
 Since there is no ZMOVESCALE line ZMOVESCALE=1.0
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                                   Routine            Line        Source            
rmcprofile         000000000073D743   Unknown               Unknown  Unknown
libc.so.6          00007F1ED3A42520     Unknown               Unknown  Unknown
rmcprofile         00000000005DF8E2   Unknown               Unknown  Unknown
rmcprofile         000000000045E884   Unknown               Unknown  Unknown
rmcprofile         0000000000404FE2    Unknown               Unknown  Unknown
libc.so.6          00007F1ED3A29D90    Unknown               Unknown  Unknown
libc.so.6          00007F1ED3A29E40    __libc_start_main     Unknown  Unknown
rmcprofile         0000000000404EEE   Unknown               Unknown  Unknown
 
 
As you can see, the error message appears at the end of the log. I would greatly appreciate it if you could provide guidance or suggest any potential solutions to resolve this issue.
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Here are some additional details that might be helpful:
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Operating System: Ubuntu 22.04.4 LTS
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Thank you very much for your time and assistance. I look forward to your response.
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Best regards,
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Issue with RMCProfile V6.7.9 Linux GPU Request for Assistance - by riekasa - 08-06-2024, 09:12 PM

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