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:
You don't often get email from dwt8...@nyu.edu. Learn why this is
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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
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
