[gmx-users] installating GROMACS on windows 7 64 bit system

[imsharmanitin]

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 ?




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