[gmx-users] gmx-test failed

Sangamesh B forum.san at gmail.com
Mon Jun 2 08:34:20 CEST 2008

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
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?

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