Re: [ESPResSo-devel] [bug #46210] "analyze pressure" affecting simulation

[Peter Košovan]

Hi Nick,

I believe that analyze pressure is used by many people and if none has reported an exploding simulation upon the call, I suspect this issue is related to some specific feature of your simulations.

Providing a minimal example to enable others reproduce the bug would be very helpful. Otherwise, only a person fully familiar with your simulations can diagnose the problem.

Best,

peter

On Wed, Oct 14, 2015 at 10:15 PM, Nicholas Jin <address@hidden> wrote:

URL:
  <http://savannah.nongnu.org/bugs/?46210>

                 Summary: "analyze pressure" affecting simulation
                 Project: ESPResSo
            Submitted by: njin
            Submitted on: Wed 14 Oct 2015 08:15:00 PM GMT
                Category: Simulation core
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
             Open/Closed: Open
         Discussion Lock: Any
                 Release: None
           Fixed Release: None

    _______________________________________________________

Details:

Hi all,

The tcl command "analyze pressure" is causing misbehavior in my simulations.
Absent this analysis command everything runs fine, but once the analysis runs
the simulation explodes.

This occurs in espresso-3.3.0. Let me know what other information you might
need to diagnose this issue.

Best,
Nick (address@hidden)




    _______________________________________________________

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  <http://savannah.nongnu.org/bugs/?46210>

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--

Dr. Peter Košovan

Department of Physical and Macromolecular Chemistry

Faculty of Science, Charles University in Prague, Czech Republic

Katedra fyzikální a makromolekulární chemie

Přírodovědecká fakulta Univerzity Karlovy v Praze

www.natur.cuni.cz/chemistry/fyzchem/
Tel. +420221951290

Fax +420224919752

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