From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Wed Feb 18 2015 - 17:49:41 CST
On Wed, 18 Feb 2015, Axel Kohlmeyer wrote:
> On Tue, Feb 17, 2015 at 7:50 PM, Mitul Saha <mitul.saha_at_gmail.com> wrote:
>> Hi,
>>
>> Is there any way to give values for "run" parameter greater than
>> 1microsecs (when timestep=2, 1microsec:- "run=500,000,000")?
>
> why not simply do a loop and call run repeatedly?
That will get you past the Tcl error check, but NAMD is only using int32
for the timestep field and it will add the number of steps you want to run
to whatever the last timestep value was. This does skip an error check,
but the "last" step wraps around to a negative number, so "step < last" is
false the first time it is checked and you run for zero steps.
Technically I suppose you could do this:
while { 1 } {
run 2000000000
firsttimestep 0
}
Jim
>> Else I get this error:-
>>
>> ==================
>> TCL: integer value too large to represent
>> FATAL ERROR: integer value too large to represent
>> while executing
>> "run 5000000000 "
>> (file "d_run.2.namd" line 130)
>> ------------- Processor 0 Exiting: Called CmiAbort ------------
>> Reason: FATAL ERROR: integer value too large to represent
>> while executing
>> "run 5000000000 "
>> (file "d_run.2.namd" line 130)
>>
>> ===============
>>
>> Thanks!
>> Mitul
>>
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>
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