uspex error-Ex. 33

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عطیه موافق قدیرلی

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Feb 21, 2022, 2:48:37 AM2/21/22
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Hi,
I am running Exercise 33 in USPEX examples for testing my installation, but after running without any error, in the results1 folder, it there is no output and some files are empty such as origin, individual and ...
can you help me to find my mistake

best,
Ghadirli
OUTPUT.txt
Individuals
results1
INPUT.txt

Abdullah Maruf

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Feb 26, 2022, 5:27:05 PM2/26/22
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Welcome to the club! This same problem has been posted at least 4 times before without any reply from the developers (to the best of my knowledge) in order to resolve this issue once and for all. Hope they address it. 

João Felipe Queiroz Rodrigues

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Mar 28, 2022, 9:47:22 AM3/28/22
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Hi,

When I started using USPEX I also had a lot of troubles running this example. I will give some suggestions to check if everything is ok.
1st- See if the command "mpirun pw.x" directly in the terminal correctly runs the quantum espresso. If it is not running, look for the correct path of pw.x
2nd- Remove the "#" from the "numParallelCalcs" and "whichCluster" lines in the INPUT file.
3rd- Set the value of "numParallelCalcs" to 1.
4th- You can see the calculations progress in the output file in the Calcfold1 folder, if quantum espresso is running correctly.
5th- Use a script to run USPEX, so you can save the results in a log file. Here's an example script:

#!/bin/sh

while true; of
    date >> log
    USPEX -r >> log
    sleep 20
done

To run the script use the command "nohup ./"script name" &". If none of these procedures work, post the log and nohup file here. Hope this helps.

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