[RMCProfile-users] [EXTERNAL] running error for ex_7

[Zhang, Yuanpeng]

Hi Yang,

Here follows is the command that works for me,

```
data2config -noannotate -supercell "[5 5 5]" -order "[Sr Al Nb O]" -rmc6f Sr_Al05_Nb05_O3.cif
```

Please let me know if there issues.

Cheers
Yuanpeng

--

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<mailto:zhangy3 at ornl.gov> | Web: https://www.iris2020.net<https://www.iris2020.net/>

From: rmcprofile-users <rmcprofile-users-bounces at shadow.nd.rl.ac.uk>
Date: Friday, November 6, 2020 at 4:30 AM
To: rmcprofile-users at rmcprofile.org <rmcprofile-users at rmcprofile.org>
Cc: Yang <tongy2008 at gmail.com>
Subject: [EXTERNAL] [RMCProfile-users] running error for ex_7
Hi all,
I'm new to RMCprofile and currently practicing ex_7. However, I face
the following problem when running data2config command. I also tried
V6.7.6, V6.7.7, and V6.7.8, and all show the same message as below.

Thanks,

Yang

C:\Users\Yang\Downloads\RMCProfile_package\tutorial\ex_7\Configs>data2config
-noannotate -rmc6f Sr_Al05_Nb05_O3.cif
forrtl: severe (157): Program Exception - access violation
Image              PC                Routine            Line        Source
data2config.exe    00007FF697B54C40  Unknown               Unknown  Unknown
data2config.exe    00007FF697B31AEE  Unknown               Unknown  Unknown
data2config.exe    00007FF697CFA412  Unknown               Unknown  Unknown
data2config.exe    00007FF697CFA818  Unknown               Unknown  Unknown
KERNEL32.DLL       00007FFBA10F7034  Unknown               Unknown  Unknown
ntdll.dll          00007FFBA291CEC1  Unknown               Unknown  Unknown
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