Greetings to all,
I have just downloaded gromacs-3.3.2 and read the notice on the website
regarding the 4.1.x series of GNU compilers. Since I'm running Linux
(Slackware 12) on my pentium IV and the default compile is gcc-4.1.2 I
previously installed gcc-3.4.6 and compiled first fftw-3.1.2 and second
gromacs-3.3.2 with it. The I've run the tests in gmxtest-3.3.2.tgz with
command
$> ./gmxtest.pl all
obtaining the following failures:
FAILED. Check files in rb1
1 out of 16 simple tests FAILED
FAILED. Check files in acetonitrilRF
FAILED. Check files in dec+water
2 out of 14 complex tests FAILED
All 63 kernel tests PASSED
All 45 pdb2gmx tests PASSED
Finally to test more things I have also performed the simulation of the
gromacs tutorial by John Kerrigan about the spider toxin peptide and all
seems ok at a first look.
Since fftw compiled with gcc4 were already on my pc I've tried (just for
a test) also with it and the results of the test suite were exactly the
same. Also the run with the spider toxin seems k although I must still
check out differences.
Meanwhile I have searched the mailing list but I was not able to
understand wath is wrongwtih gcc4.
Can you help me (repetita iuvant...)
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