[gmx-users] Installing Gromacs 4.6.5 - Problem with FFTW

[GtrAngus]

Ok. Now I think it works... almost! Now I want to check gromacs for
correctness. I downloaded the tarball, unpacked it and opened the new folder
with the console.

Then I inserted " source /usr/local/gromacs/bin/GMXRC " (it is really there,
I looked for it!) and with " ./gmxtest.pl all " I started the test. Sadly
for me, it fails almost everything....


FAILED. Check files in angles1
FAILED. Check files in angles125
FAILED. Check files in bham
FAILED. Check files in bonds1
FAILED. Check files in bonds125
FAILED. Check files in dih1
FAILED. Check files in dih125
FAILED. Check files in g96angles1
FAILED. Check files in g96angles125
FAILED. Check files in g96bonds1
FAILED. Check files in g96bonds125
FAILED. Check files in imp1
FAILED. Check files in imp36
FAILED. Check files in morse
FAILED. Check files in rb1
FAILED. Check files in rb125
16 out of 16 simple tests FAILED
FAILED. Check files in acetonitrilRF
FAILED. Check files in aminoacids
FAILED. Check files in argon
FAILED. Check files in butane
FAILED. Check files in dec+water
FAILED. Check files in ethyleenglycol
FAILED. Check files in fe_test
FAILED. Check files in field
FAILED. Check files in nacl
No topol.tpr file in sw. grompp failed
FAILED. Check files in sw
FAILED. Check files in tip4p
FAILED. Check files in tip4pflex
No topol.tpr file in water. grompp failed
FAILED. Check files in water
13 out of 14 complex tests FAILED
All 63 kernel tests PASSED
Error not all 45 pdb2gmx tests have been done successfully
Only 0 energies in the log file

Any idea what went wrong? Is there a problem because I did not install cuda?
I skipted it because I use an ATI graphics. Furthermore, I installed Kubuntu
in a virtual machine VirtualBox. But in the university it works with VMWare
Player and OpenSuse.

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