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. -- View this message in context: http://gromacs.5086.x6.nabble.com/Installing-Gromacs-4-6-5-Problem-with-FFTW-tp5013869p5013916.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
