[CPMD-list] PROGRAM STOPS IN SUBROUTINE RGMOPT

[HW Sheng]

Hi there.

It means the error occurred during geometry optimization, specifically, in
the subroutine rgmopt.F. (line 538, version 3.7). Most likely, the method of
using simulated annealing to optimize geometry has not been implemented yet.
You may want to modify your input file accordingly.

Howard

----- Original Message -----
From: <cdy2000 at vip.sina.com>
To: <cpmd-list at cpmd.org>
Sent: Thursday, April 03, 2003 4:24 AM
Subject: [CPMD-list] PROGRAM STOPS IN SUBROUTINE RGMOPT


> Hello, every CPMDer!
>
> Thank Isaev's help.
>
> Another question, when I optimize the geometry and the wavefunction of a
cluster, error output, the info is:
>
> PROGRAM STOPS IN SUBROUTINE RGMOPT | SIMUL NOT WORKING
>
> What's meaning? What is the RGMOPT? How should I do?
>
> Thanks for any help.
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