[RMCProfile-users] error when using gasp

[Tucker, Matthew G.]

Dear Enyuan,

When I have seen an error with the gasp command it is usually caused by the input files. 

So please download and try the files in this zip file  https://www.dropbox.com/s/n9i0ew5fol8ze2c/gasp_test.zip?dl=0 

Then if it work perhaps you could look to see which file was not produced correctly and let us know. If gasp still doesn’t work please let us know and we will look into this further.

Best wishes,
Matt


On 5/17/17, 11:31 PM, "rmcprofile-users on behalf of Enyuan Hu" <rmcprofile-users-bounces at rmcprofile.org on behalf of bearcharge at gmail.com> wrote:

    Dear all,
    
    The following error message appeared when I was following the tutorial ex_4
    and tried to use the gasp command in RMCProfile:
    
    run-time error M6201: MATH
    - sqrt: DOMAIN error
    Image              PC        Routine            Line        Source
    gasp.exe           0043BE69  Unknown               Unknown  Unknown
    
    because of this error, there was no .com file produced and that prevented
    me from further exploring the functionalities of gasp. I was wondering if
    this situation has been reported before? thanks!
    
    Enyuan Hu
    *Research associate*
    *Chemistry Department*
    *Brookhaven National Laboratory, Upton, NY 11973*
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