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

Devin Thrush dwt8780 at nyu.edu
Mon May 1 22:35:29 CEST 2023


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230501/ab4c1e7d/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: RVCBTp_smaller.scf.in
Type: application/octet-stream
Size: 30427 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230501/ab4c1e7d/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: RVCBTp_smaller.scf.out
Type: application/octet-stream
Size: 65032 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230501/ab4c1e7d/attachment-0001.obj>


More information about the users mailing list