[QE-users] Error in routine open_buffer (2)

[Paolo Giannozzi]

It's almost certainly a memory problem. A record lenght < 0 may signal 
that the true record length is so large that it hits an integer 
overflow. Notice the message:

     Estimated max dynamical RAM per process >     453.47 GB

You cannot run such a big calculation on just one MPI process

Paolo

On 5/1/23 22:35, Devin Thrush wrote:
> 	
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> 
> Hello Everyone,
> 
> I've encountered an issue in running pw.x in quantum espresso 6.8.  The 
> issue is in the subroutine open_buffer. The output file is returning:
> 
> Error in subroutine open_buffer (2)
> Cannot open unit
> 
> As far as I can tell, the issue is appearing when the system tries to 
> use open_buffer from pw/src/buffers.f90 as part of the subroutine 
> wfcinit() from pw/src/wfc.f90. more specifically it is attempting to 
> create a buffer with a record length less than 0 at some point. I assume 
> there's something wrong with my input file but obviously I haven't been 
> able to find it. Has anyone encountered this issue, and if so, did you 
> fix it and how?
> 
> The relevant input and output files should be attached below. The error 
> message is at the end of the output file
> 
> Thank you,
> Devin Thrush
> NYU Chem - Avalos Lab
> 
> This is my first time posting to this forum, so I apologize in advance 
> if the formatting of the post is wrong
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216