Is there really no way to ensure that the compilation was 'successful'
during the configure/make/make install procedure? While a compiler
problem is technically not a gromacs problem in that it is not an
error of the gromacs developers, I think that this is still something
that deserves to be solved in an automated fashion. I know that there
is the test set, but honestly, what percentage of users use the test
set on every cluster for which they install gromacs? I'll be the first
to admit that I don't. When our OS was updated, for example, I had to
reinstall gmx 3.3.1 to 3.3.3. While I used the same scripts for
compilation as the last time, I certainly didn't run the test suite
again.
this sounds A LOT like a compiler problem..
which gcc do you use?
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