[Pw_forum] failure to restart a cp calculation from pwscf restart files in spin polarized cases

[jia chen]

Dear All,

I am trying to restart cp calculations from pwscf restart files. It
works very well in spin-unpolarized cases but fails when I need spin
polarization. Actually, I tried version 3.2, 4.1.1, 4.2, they all
suffer the same problem. I think it is a very nice feature. So, I will
be greatly appreciate if anyone can fix this problem or give me some
hint about how to make it work. Following is error message from 4.2,
hope it is helpful. Thank you in advance

#############################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=-1)
# ERROR IN: iotk_scan_attr (iotk_attr.spp:453)
# CVS Revision: 1.21
# Attribute not found
name=UP
#############################

Regards
-- 
Jia Chen

Dept of Chemistry
Princeton University
Princeton, NJ 08544