Silvia Crivelli wrote:
Hello,
I built gromacs4.5.1 on my new imac (OS X 10.6.4) without problems using
the command sequence:
./configure --enable-shared
make
make install
Before that, I built fftw (3.2.2) by following the following sequence:
./configure --enable-threads --enable-float
make
make install
However, most of the tests (./gmxtest.pl simple and ./gmxtest.pl
complex) FAILED.
Could this be explained by the fact I'm using gcc4.2? If so, how can I
compile with gcc4.0?
If not, what could be the problem? I've tried this a couple of times
(using single and double precisions) and got the same FAILED messages in
all cases.
The test suite is not very robust, so some failures are expected. The mechanism
for using pdb2gmx has changed somewhat, and in the absence of updates to the
test set, many of those test probably fail because the commands simply aren't
being run correctly.
-Justin
Thanks in advance,
Silvia
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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