[gmx-users] internal consistency warning in grompp not repeated at end of stderr output
David van der Spoel
spoel at xray.bmc.uu.se
Tue Apr 10 09:31:16 CEST 2007
Chris Neale wrote:
> I recently generated a new .top file and I accidentally missed the first
> line in the water position restraint section while pasting. Therefore I
> had water posre without wanting it.
> First of all, I would like to point out that the gromacs error-checking
> is excellent since it was aware of this error and output a notice to
> checking input for internal consistency...
> my.top:9:2: #endif without #if
this actually seems to be a message from cpp, therefore it is not
counted in the normal warning system. Unless we implement our own
baby-cpp it will be quite tedious to catch the warnings and error
messages from it.
> However, there is lots of output to stderr and this message could be
> improved if the existence of a warning was transmitted to the bottom of
> the output (as is done for many other warnings) e.g. notice of the
> warning as it occurs but additionally at the bottom of the output:
> "There was 1 warning"
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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