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On 10/06/2012 5:50 PM, Inon Sharony wrote:<br>
<span style="white-space: pre;">> Hi Mark! Thanks for the
response. Just to follow up, the problem was<br>
> that another program was deleting md.log before it could be
accessed.<br>
> This is entirely not the fault of GROMACS, however a more
descriptive<br>
> error message could have saved us some time (e.g. "md.log not
found"<br>
> as opposed to "md.log could not be opened" instead of "file
i/o<br>
> error"). Also, I still don't understand under which directory
futil.c<br>
> is located. I would check whether this file outdated and
change the<br>
> error message accordingly if it is.</span><br>
<br>
Thanks for the thought.<br>
<br>
One problem is that there are a wide range of circumstances that can
provoke the conditions that mdrun detected in your case, e.g.
missing file, network file system unavailability, invalid file
permissions. At least some of those can be transient, also, so any
detective work mdrun might do subsequent to an I/O failure might be
inaccurate, or depend on details of the OS and file system in use.
Unfortunately, GROMACS developers don't have the time to write and
test code that can deal with all possible such contingencies, so the
burden of solving the problem is pushed to those who know the most
about their local conditions. This lets the GROMACS devs spend more
time doing what they do best :-) Free software will be imperfect -
and software for which you paid money is rarely fully satisfactory
either!<br>
<br>
Mark<br>
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