Hi,
Thanks for the gromacs-4 test cases and the 4.0.4 release. :)
CentOS-3 x86_64 gcc-3.2.3-59.x86_64
<quote install procedure>
wget ftp://ftp.gromacs.org:/pub/gromacs/gromacs-4.0.4.tar.gz
tar xzvf gromacs-4.0.4.tar.gz
cd gromacs-4.0.4
./configure --prefix=/../gromacs-4.0.4_fftw3_gnu --with-x --enable-shared
make && make install
source /.../gromacs-4.0.4_fftw3_gnu/bin/GMXRC
wget ftp://ftp.gromacs.org/pub/tests/gmxtest-4.0.4.tgz
tar xzvf gmxtest-4.0.4.tgz
make tests
</quote>
...
(if test -d "gmxtest"; then cd "gmxtest"; ./gmxtest.pl all; cd ..; \
else echo "No gmxtest directory found. Please download and unpack it
here.";\
fi)
All 16 simple tests PASSED
All 14 complex tests PASSED
FAILED. Check files in kernel020
FAILED. Check files in kernel120
FAILED. Check files in kernel121
FAILED. Check files in kernel122
FAILED. Check files in kernel123
FAILED. Check files in kernel124
FAILED. Check files in kernel220
FAILED. Check files in kernel221
FAILED. Check files in kernel222
FAILED. Check files in kernel223
FAILED. Check files in kernel224
FAILED. Check files in kernel320
FAILED. Check files in kernel321
FAILED. Check files in kernel322
FAILED. Check files in kernel323
FAILED. Check files in kernel324
16 out of 63 kernel tests FAILED
All 45 pdb2gmx tests PASSED
The same gmxtest-4.0.4 on gromcas 4.0.3 yields:
All 16 simple tests PASSED
All 14 complex tests PASSED
All 63 kernel tests PASSED
Error not all 45 pdb2gmx tests have been done successfully
Only 44 energies in the log file
The pdb2gmx failures are expected according to your previous announce.
Now I have pdb2gmx tests passed but kernel failing the tests...
Thanks
Tru
--
Dr Tru Huynh | http://www.pasteur.fr/recherche/unites/Binfs/
mailto:[email protected] | tel/fax +33 1 45 68 87 37/19
Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France
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