[QE-users] SCF calculation fails with SIGSEGV in Quantum ESPRESSO 7.5

Ishiyama,Takahisa_石山 貴久 takahisa.ishiyama at jp.yazaki.com
Mon Mar 30 07:20:09 CEST 2026


Hi,
I am facing a problem regarding the scf calculation.
Scf calculation run successfully with version 7.4, but it fails with version 7.5, even though I use essentially the same input.
To resolve this issue, I have tried changing some parameters , such as smearing, degauss, cutoff, mixing_beta and so on.
However, the problem persists in version 7.5.
Coud this issue be related to changes introduced in version 7.5?
I am attaching the input file and the part of log below.

negative rho (up, down):  2.798E-05 0.000E+00
forrtl: severe (174): SIGSEGV, segmentation fault occurred
===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 119 PID 19859 RUNNING AT 172.16.1.207
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================
Exited with code 0
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