<div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small;color:rgb(51,51,255)">Dear Matt,</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small;color:rgb(51,51,255)"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small;color:rgb(51,51,255)">Many thanks for the quick reply and the solution. The problem was solved by using the files you provided. I did a little comparison between the files I previously used and those you provided. I found the difference is in the rmc6f file. In the file I used, it's like:</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small;color:rgb(51,51,255)"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small;color:rgb(51,51,255)"><div class="gmail_default"> 1 Sr [1] 0.081829 0.998178 0.062795 11 0 0 0</div><div class="gmail_default"><br></div><div class="gmail_default">In the file you provided, it's like:</div><div class="gmail_default"><br></div><div class="gmail_default"><div class="gmail_default"> 1 Sr 0.081588 0.998857 0.062879 17 0 0 0</div><div><br></div><div>So I don't know if it is the '[1]' part that is causing the problem. Anyway, many thanks for your help.</div><div><br></div><div>best,</div><div>Enyuan</div></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, May 18, 2017 at 8:02 AM, Tucker, Matthew G. <span dir="ltr"><<a href="mailto:tuckermg@ornl.gov" target="_blank">tuckermg@ornl.gov</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Enyuan,<br>
<br>
When I have seen an error with the gasp command it is usually caused by the input files.<br>
<br>
So please download and try the files in this zip file <a href="https://www.dropbox.com/s/n9i0ew5fol8ze2c/gasp_test.zip?dl=0" rel="noreferrer" target="_blank">https://www.dropbox.com/s/<wbr>n9i0ew5fol8ze2c/gasp_test.zip?<wbr>dl=0</a><br>
<br>
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.<br>
<br>
Best wishes,<br>
Matt<br>
<span class=""><br>
<br>
On 5/17/17, 11:31 PM, "rmcprofile-users on behalf of Enyuan Hu" <<a href="mailto:rmcprofile-users-bounces@rmcprofile.org">rmcprofile-users-bounces@<wbr>rmcprofile.org</a> on behalf of <a href="mailto:bearcharge@gmail.com">bearcharge@gmail.com</a>> wrote:<br>
<br>
Dear all,<br>
<br>
The following error message appeared when I was following the tutorial ex_4<br>
and tried to use the gasp command in RMCProfile:<br>
<br>
run-time error M6201: MATH<br>
- sqrt: DOMAIN error<br>
Image PC Routine Line Source<br>
gasp.exe 0043BE69 Unknown Unknown Unknown<br>
<br>
because of this error, there was no .com file produced and that prevented<br>
me from further exploring the functionalities of gasp. I was wondering if<br>
this situation has been reported before? thanks!<br>
<br>
Enyuan Hu<br>
</span> *Research associate*<br>
*Chemistry Department*<br>
*Brookhaven National Laboratory, Upton, NY 11973*<br>
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