[Pw_forum] Example21 Problem

[Amos Leffler]

Dear Forum,
       I am unable to compile the program using the commands, 
"-ftrace=frame" or "-ftrace=full" or I dont know how to formulate the 
command properly.  The response is "no such command".
       I have approximately 28 Gb empty space on my disk and 256 Mb of 
RAM.  I always assumed that if more than 256 Mb is needed there will be 
paging to the swap space.  This would slow the program but not stop it.  
I checked "ulimit" and it replied unlimited.
       At this point I have no idea of what is needed.  Hopefully 
someone can help.
                                                                         
         Amos Leffler

Axel Kohlmeyer wrote:
> On Fri, 29 Jun 2007, Amos Leffler wrote:
>
>
> amos,
>
> how much memory do you have on the machine that you are running on?
> how large are your ulimit settings?
>
> the 32 water example requires about 1.2GB address space and 
> about 400MB physical memory to run. for the larger systems
> accordingly more. 
>
> when a job stops complaining about not being able to allocate
> memory, it is likely that you either do not have enough memory
> or address space available, or that your account settings 
> prohibit that.
>
> cheers,
>    axel.
>
> AL> Dear Forum,
> AL>        Attached is the result of the following input in example 21:
> AL>                    ./run_example 256
> AL> It calculates values for all sizes up to 256 and skips the remainder.  
> AL> However, I am puzzled that the calculations take very little time 
> AL> certainly less than a minute for each one.  The "README" note says it 
> AL> takes a long time and should include more than what is shown.  There may 
> AL> be more to this than I understand.
> AL>                                                                       
> AL> Amos Leffler
> AL> Axel Kohlmeyer wrote:
> AL> > On 6/27/07, Amos Leffler <amos at errno.com> wrote:
> AL> >> Dear Forum,
> AL> >>        I found later after sending this note that the program ran (in
> AL> >> background) but did the calculation for all of the numbers of water
> AL> >> molecules.  The original input did have as the last entry a number (64)
> AL> >> so there still is a problem.
> AL> >
> AL> > i disagree. please explain first the existence of the -ftrace=full
> AL> > which is obviously causing the problems you see. omit it and
> AL> > the script will run fine.
> AL> >
> AL> > axel.
> AL> >
> AL> >>
> AL> >> Amos Leffler
> AL> >>
> AL> >> Axel Kohlmeyer wrote:
> AL> >> > On Tue, 26 Jun 2007, Amos Leffler wrote:
> AL> >> >
> AL> >> > AL> Dear Forum,
> AL> >> > AL>          Attached  are the details of a problem I ran into 
> AL> >> trying to
> AL> >> > AL> execute  example21.  I am using SuSE  Linux 10.2 which has 
> AL> >> worked well
> AL> >> > AL> up to this point so I think the problem is in the  run_example 
> AL> >> file.
> AL> >> >
> AL> >> > well, i would say the problem is in your using of -ftrace=full. why?
> AL> >> > example21 is special and requires as an argument the maximum number
> AL> >> > of water molecules that you want to run (32-512). if you provide
> AL> >> >
> AL> >> > the error message stems from the numerical compares of the first
> AL> >> > argument of the script, $1, with the corresponding number of waters.
> AL> >> > the way it is done, allows to have a default value of '0' (i.e.
> AL> >> > don't run any of those tests). your -ftrace=full argument expands
> AL> >> > to a non-numerical value, hence the error messages. in all other
> AL> >> > scripts it will be ignored, anyways.
> AL> >> >
> AL> >> > cheers,
> AL> >> >    axel.
> AL> >> >
> AL> >> >
> AL> >> > AL>
> AL> >> > AL>    Amos Leffler
> AL> >> > AL>
> AL> >> > AL>     Walnut Creek, CA.
> AL> >> > AL>
> AL> >> > AL>        unaffiliated
> AL> >> > AL>
> AL> >> > AL>
> AL> >> >
> AL> >> >
> AL> >>
> AL> >> _______________________________________________
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> AL> >>
> AL> >>
> AL> >
> AL> >
> AL> 
> AL> 
>
>