<div dir="ltr">Hello,<div><br></div><div>I fixed a bug in my script, which is the line</div><div><br></div><div>      PRESSURE [bar] 1000.0<br></div><div><br></div><div>in &MSST section. This valued needs to be updated as tr(pressure_tensor)/3.0 at time step 1500,</div><div>before we performing the restart run. Doing such update, I get following results:</div><p style="text-align:center;clear:both"><a href="https://lh3.googleusercontent.com/-rqgsdyVsV7A/WGw4cx4YVII/AAAAAAAAAAo/_EnF8RyHGrQFTzO9hZBnPbT2XZC0-I0CQCLcB/s1600/history-msst3.png" style="margin-left:1em;margin-right:1em" target="_blank"><img src="https://lh3.googleusercontent.com/-rqgsdyVsV7A/WGw4cx4YVII/AAAAAAAAAAo/_EnF8RyHGrQFTzO9hZBnPbT2XZC0-I0CQCLcB/s400/history-msst3.png" border="0" width="385" height="400"></a></p><div><br></div><p style="text-align:center;clear:both"><a href="https://lh3.googleusercontent.com/-N3m6gTVFI-s/WGw4YqwEAjI/AAAAAAAAAAk/zPX0lGm1lz4G8NdjtUnxI1FTuav_47n0wCLcB/s1600/history-msst4.png" style="margin-left:1em;margin-right:1em" target="_blank"><img src="https://lh3.googleusercontent.com/-N3m6gTVFI-s/WGw4YqwEAjI/AAAAAAAAAAk/zPX0lGm1lz4G8NdjtUnxI1FTuav_47n0wCLcB/s400/history-msst4.png" border="0" width="385" height="400"></a></p><p style="text-align:center;clear:both"><br></p><div>We can see that, if the system has evolved to a resonably stable state, then the restart run can statistically reproduce the original curve, although not an exact reproduction.</div><p style="text-align:center;clear:both"><br></p><div>However, if the restart run starts from an unstable state, ie, at 400fs where there is huge pressure fluctuation, then there can be deviation from the original curve, as shown below:</div><div><br></div><p style="text-align:center;clear:both"><a href="https://lh3.googleusercontent.com/-iG28POAImRA/WGw5gh3R7eI/AAAAAAAAAA8/8mZQBDfcW7AaewaJ7eB_IL3sXh4CnNcFQCLcB/s1600/history-msst1.png" style="margin-left:1em;margin-right:1em" target="_blank"><img src="https://lh3.googleusercontent.com/-iG28POAImRA/WGw5gh3R7eI/AAAAAAAAAA8/8mZQBDfcW7AaewaJ7eB_IL3sXh4CnNcFQCLcB/s400/history-msst1.png" border="0" width="385" height="400"></a></p><div>If I completely remove the line </div><div>      PRESSURE [bar]   ***<br></div><div>then the result is again erroneous.</div><div><br></div><div>Is it possible to improve this behavior?</div><div><br></div><div>Thanks</div><div><br></div><div>Regard,</div><div>Yiyang</div></div>