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 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 gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists