On Thu, Apr 4, 2013 at 7:57 AM, imsharmanitin <[email protected]>wrote:
> i followed the following steps to install gromacs : > > 1. Download cygwin from http://www.cygwin.com/ .Installed packages > including > "gdb", "make" and "tcsh" > NOTE : i was not able to find package "gdn" > > 2. Downloaded GROMACS (gromacs-4.0.7) source code. > > 3. Downloaded fftw-3.2.1.tar.gz > > 4. Extracted to C:\fftw-3.2.1 > > 5. start cygwin and change the directory to your FFTW folder: cd > c:\fftw-3.2.1 > > 6. ./configure --enable-threads --enable-sse --enable-float > > 7. make > > 8. make install > > 9. make distclean > > 10. Extracted gromacs to C:\gromacs-4.0.7 and in the cygwin console, > changed > directory to the gromacs folder: cd C:\gromacs-4.0.7 > > 11. ./configure --enable-shared LDFLAGS='-L/usr/local/lib' > > 12. make > > 13. make install > > 14. make links > > 15. make clean > > 16. i downloaded the test set gmxtest-4.0.4 and extracted it to C:\gmxtest > That's not a valid test of anything, unfortunately, per http://www.gromacs.org/Downloads/Test-Set. If you want a testable installation, you need at least GROMACS 4.5.something, and 4.6 makes testing available through the build mechanism. Mark > 17. in the cygwin console, changed directory to the gmxtest folder: cd > C:\gmxtest > > 18. source /usr/local/gromacs/bin/GMXRC > > 19. ./gmxtest.pl all > > Got the following result > > "$ ./gmxtest.pl all > All 16 simple tests PASSED > FAILED. Check files in aminoacids > FAILED. Check files in field > FAILED. Check files in tip4p > FAILED. Check files in water > 4 out of 14 complex tests FAILED > 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 > N Reference This test > 10 -33.9883 -29.5518 > 11 -33.9883 -29.5518 > There were 2 differences in final energy with the reference file > All 45 pdb2gmx tests PASSED > pdb2gmx tests FAILED " > > what is the error and how can i eliminate it ? > > > > > -- > View this message in context: > http://gromacs.5086.n6.nabble.com/installating-GROMACS-on-windows-7-64-bit-system-tp5006901.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
