On 10/06/2012 5:50 PM, Inon Sharony wrote:
Hi Mark! Thanks for the response. Just to follow up, the problem was
that another program was deleting md.log before it could be accessed.
This is entirely not the fault of GROMACS, however a more descriptive
error message could have saved us some time (e.g. "md.log not found"
as opposed to "md.log could not be opened" instead of "file i/o
error"). Also, I still don't understand under which directory futil.c
is located. I would check whether this file outdated and change the
error message accordingly if it is.
Thanks for the thought.
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!
Mark
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