[QE-users] [SUSPECT ATTACHMENT REMOVED] Error in routine davcio (10)?

Vasilios Passias billy.passias at gmail.com
Fri Aug 28 21:40:04 CEST 2020


Hello fellow quantum espresso users.

Recently, I tried running a relaxation calculation.  The convergence
thresholds on the total energy and total force are such that I need to run
this relaxation calculation multiple times.  The first relaxation run, with
restart_mode = 'from_scratch' , ran fine for the max_time I had set.

Then I set restart_mode = 'restart' and I ran this relaxation calculation
again, expecting it to continue where it left off.

Instead I got the following error:   error in routine davcio (10):   error
while reading from file.

All of the files associated with this error are in the same folder as my
input and output files.  Why is this happening?  Should I just re-run this
calculation?

I have my input, output, job submission, and crash files attached in this
email.


Thank you for your time and input.
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