[CP2K-user] [CP2K:18425] Help: cp2k vibration analysis stopped in the middle, how to renew the calculation?

Krack Matthias matthias.krack at psi.ch
Thu Feb 9 11:03:24 UTC 2023


It is not possible to restart a vibrational analysis run. Such a functionality is not implemented.

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Zac Smith <qingxinzhang6 at gmail.com>
Date: Thursday, 9 February 2023 at 02:54
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:18425] Help: cp2k vibration analysis stopped in the middle, how to renew the calculation?
Hello  cp2k users,
I used a virtual machine to do vibration analysis with cp2k, but the task was killed when the hard disk was full, and the output file only contains out, molden, cube, and the eig file of size 0. Can the calculation be continued in this case?
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