From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Mon Sep 14 2009 - 17:57:28 CDT
Are you running a minimization and MD in the same script?
Do you get the same error when running on 1 processor?
On Mon, Sep 14, 2009 at 5:48 AM, Jagan Mohan <o.jagan_at_gmail.com> wrote:
> Hello Everyone,
> I am running an ABF Simulation with the distance parameter. When I start the
> job on 4 processors i get the following error.
> FATAL ERROR: Setting parameter TclForces from script failed!
> This are the lines in my input file
> # ABF SECTION
> set ABFdir ./abf-1.8
> source ./abf-1.8/abf.tcl
> # ORDER PARAMETER
> abf coordinate distance
> abf abf1 8846
> abf abf2 9876
> abf xiMin 5.0
> abf xiMax 34.0
> abf dxi 0.1
> # SAMPLING
> abf fullSamples 500
> abf dSmooth 0.1
> abf forceConst 10.0
> abf writeXiFreq 100
> # OUTPUT
> abf outFile full_run.abf
> Could anyone tell me what is wrong.
> Thanks and Regards,
> Jagan Mohan
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:16 CST