[Dock-fans] Sphere_generation problem

[John J. Irwin]

Hi Wenjing

Sorry to hear you are having trouble.  The problem you reported,

open: 'new' file exists
apparent state: unit 6 named OUTSPH
lately writing direct unformatted external IO



is not peculiar to DOCK, but is just a unix/fortran matter.  Anyone
familiar with computers should be able to help you get past this, since
you simply need to make sure the file you are writing is not there
already.  This is a safety feature to avoid accidentally overwriting data.

Unfortunately, we do not offer short term training, sorry.

Good luck

John
UCSF DOCK Team



Wenjing.Shi at lvh.com wrote:
> Hello Dr. Irwin,
>
> I tried the way you suggested, but still got the same error message. I'm
> feeling it's so hard to me. So I'm wondering whether there is any short-term
> DOCK training (e.g. a week or shorter) provided. If there is, could you please
> give me information about it?
>
> Thank you very much. I look forward to getting back from you.
>
> Sincerely,
>
> Wenjing
> ------------------------------------------------------------------------
>
> Date: Mon, 13 Apr 2009 11:40:43 -0700
> From: John.J.Irwin[jji]@cgl.ucsf.edu
> To: Wenjing.Shi
> cc: dock-fans at docking.org
> Subject: Re: [Dock-fans] Sphere_generation problem
> X-HDT-HopCount: 1
>
> try
> rm -f OUTSPH
> and try again
>
>
> Wenjing.Shi at lvh.com wrote:
>   
>> Hello! After I installed dock6 and made test for sphere_generation, an error
>> message appeared as following:
>> $ make test
>> # Cpmstruct sphere set in active site
>> ../../..bin/sphgen
>> open: 'new' file exists
>> apparent state: unit 6 named OUTSPH
>> lately writing direct unformatted external IO
>> 6 [sig] sphgen 2368 _cygtls::handle_exceptions: Error while dumping state
>> <probably corrupted stack>
>> make: *** [sphgen] Segmentation fault <core dumpted>
>> What does this mean? Is anything wrong with installation? Any suggestions?
>> Thank you very much for your input.
>> =================================================================
>>
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> ------------------------------------------------------------------------
>
> =================================================================
>
> Please note that if you have received this message in error, you 
> are hereby notified that any dissemination of this communication 
> is strictly prohibited.  Please notify me immediately by reply 
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