[QE-users] Is wfcdir still functional?

Takahiro Chiba takahiro_chiba at eis.hokudai.ac.jp
Wed Oct 7 16:38:46 CEST 2020


Dear Mr. Marchand, Dr. Giannozzi, and all QE users,

No "pwscf.wfcN" was found in "wfcdir" because he did calculation='scf'
and disk_io='low', I suspect. When I do "relax" calculation with
disk_io='low' option, QE 6.5 with intel MPI 18 on CentOS 6 does write
"pwscf.wfcN" in "wfcdir", where N is the number of MPI processes.

By the way, I would be glad if you would change the default behavior
of 'wfcdir'. Like ESPRESSO_TMPDIR, using the ESPRESSO_WFCDIR
environment variable if set is better for me.

Best regards,

---Sender---
Takahiro Chiba
Undergraduate at Hokkaido University
takahiro_chiba at eis.hokudai.ac.jp
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