Fortran runtime error: Array bound mismatch for dimension 3 of array 'gwann' (601/15)

[wanyuloo]

Description: While attempting to compute gk_qpath, the calculation was interrupted due to a Fortran runtime error related to array bounds mismatch. Specifically, the error message indicates an issue with the third dimension of the array gwann. Error Message: Fortran runtime error: Array bound mismatch for dimension 3 of array 'gwann' (601/15) Context: I am running the gk_qpath calculation, and the error occurs during the process. Based on the error message, it appears that the array gwann is expected to have a size of 15 for the third dimension, but the actual size encountered during the calculation is 601, causing a mismatch and interrupting the execution. The issue arises consistently and halts the computation. Steps Taken: I have provided highsympath.txt and initialk.txt files as input, and the calculation proceeds up until this error occurs. I have verified the input files and the initial setup, but the issue persists.

[nakib]

Dear wanyloo,

Thanks for writing. I have not encountered this issue before. I will need to see your output file to understand what is happening.

Best, Nakib

[wanyuloo]

In my previous inquiry, I encountered a Fortran runtime error when calculating a specific material using elphbolt. To further troubleshoot, I decided to run the official silicon example from the elphbolt website. Unfortunately, the same issue occurred. The error message and output file are as follows： error message.log output.log

[nakib]

Thanks. Your output shows several instances of Number of coarray images = 1, from which it seems to me that your coarray installation is faulty. The quantity gwann is distributed over several coarray images and without a proper installation of coarrays, this error is inevitable.

I am moving this to the discussion section.

Best, Nakib