[gmx-users] gmx-test failed

[David van der Spoel]

Sangamesh B wrote:
> Hi Gromacs users,
> 
>      I installed Gromacs on a Rocks 4.3 2 Node cluster with Dual core 
> dual AMD64 processors.
> 
> The FFTW library is 3.1.2, compiled with --enable-float option.
> 
> During Gromacs config: used CPPFLAGS and LDFLAGS to set into fftw.
> 
> After installing, the gmxtest is giving following output:
> 
> [root at test gromacs-3.3.2]# make tests
> (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
> 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
> [root at test gromacs-3.3.2]#
> 
> Is this mean that installation wrong? If so, what may be the cause?
> 

http://wiki.gromacs.org/index.php/Test-set

> Thanks,
> Sangamesh
> 
> 
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> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se