[RMCProfile-users] Info> Fitting offset of neutron scattering data required

[Chris Kerr]

As a guess, it could be that the number of data points in the S(Q) file does not correspond to the number given in the file header, so the code tries to read past the end of the file. 




Sent from Samsung tablet

-------- Original message --------
From: Bradley Losey <bplosey at ncsu.edu> 
Date:21/05/2014  20:31  (GMT+00:00) 
To: rmcprofile-users at rmcprofile.org 
Subject: [RMCProfile-users] Info> Fitting offset of neutron scattering data	required 

I have been trying to fit a structure to both the g(r) and S(Q) data similar to what is done in the SF6 example.  I keep getting the following error message:

At line 1478 of file ../main/rmcprofile_rmcaread.f90
Fortran runtime error: End of file

And when I compare the .log file for my simulation to that of the SF6 simulation it appears to be getting hung up at the step:

Info> Fitting offset of neutron scattering data required

I have looked through my input files and everything seems to be correct.  I do know that this is a problem with the S(Q) because when I do the simulation with just the g(r) it works fine.  Does anyone know exactly what this error is referring to?

Thanks,
Brad Losey 

-- 
Brad Losey
Ph.D Candidate
Martin Group
Dabney 816A
2620 Yarbrough Dr
Raleigh, NC 27695-8204
919-515-8924
 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20140521/596331d4/attachment.html>