| commit | c33d8d64fa8c0fa27f6e429c24bf295c5eff5c61 | |
| author | Vedran Miletić <vedran@miletic.net> | |
| Mon, 14 Aug 2017 15:33:31 +0000 (14 17:33 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 18 Aug 2017 23:12:40 +0000 (19 01:12 +0200) | ||
| tree | e2ea0a4c6e6467e7284e8014a860178de6518e26 | treesnapshot (tar.gz zip) |
| parent | 2e590059f5b47c134997b35757a0e6efa57a9b8a | commitdiff |
Improve the "files not present" error message
It's possible to use -deffnm in restarts even if it wasn't used in
the initial simulation. This can lead to absurd situations such as:
Expected output files not present or named differently:
pullx.xvg
pullf.xvg
where pullx.xvg and pullf.xvg are present and named exactly as listed,
but GROMACS expects them to be named as -deffnm requested.
The improved error message suggest to the user to check for that
possibility.
Refs #942 (partial workaround)
Change-Id: I983a7a2be791a634b877b0cbadb34e56a1ee2f82
It's possible to use -deffnm in restarts even if it wasn't used in
the initial simulation. This can lead to absurd situations such as:
Expected output files not present or named differently:
pullx.xvg
pullf.xvg
where pullx.xvg and pullf.xvg are present and named exactly as listed,
but GROMACS expects them to be named as -deffnm requested.
The improved error message suggest to the user to check for that
possibility.
Refs #942 (partial workaround)
Change-Id: I983a7a2be791a634b877b0cbadb34e56a1ee2f82
| src/gromacs/mdrunutility/handlerestart.cpp | diffblobblamehistory |