[gmx-users] gromacs 4.0.4 kernel testing failure x86_64/linux

[Tru Huynh]

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:tru at pasteur.fr | tel/fax +33 1 45 68 87 37/19
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