Dear justin, Thanks for your reply. I did that you said. I tried to install Gromacs 4.5.1but I failed it. I enter this line " a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 make install " in terminal. What can I do? I am sorry. I am a new user.
Thanks in advance 1. I installed fftw 3.2.2 a...@ab-desktop:~/Masaüstü/ cd fftw-3.2.2 a...@ab-desktop:~/Masaüstü/fftw-3.2.2 a...@ab-desktop:~/Masaüstü/fftw-3.2.2 ./configure --enable-threads --enable-float a...@ab-desktop:~/Masaüstü/fftw-3.2.2 make a...@ab-desktop:~/Masaüstü/fftw-3.2.2 make install 2. I tried to install Gromacs 4.5.1 a...@ab-desktop:~/Masaüstü/ cd gromacs-4.5.1 a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 ./configure a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 make a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 make install Making install in include make[1]: Entering directory `/home/ab/Masaüstü/gromacs-4.5.1/include' Making install in . make[2]: Entering directory `/home/ab/Masaüstü/gromacs-4.5.1/include' make[3]: Entering directory `/home/ab/Masaüstü/gromacs-4.5.1/include' make[3]: Nothing to be done for `install-exec-am'. test -z "/usr/local/gromacs/include/gromacs" || /bin/mkdir -p "/usr/local/gromacs/include/gromacs" /bin/mkdir: cannot create directory `/usr/local/gromacs': Permission denied make[3]: *** [install-pkgincludeHEADERS] Error 1 make[3]: Leaving directory `/home/ab/Masaüstü/gromacs-4.5.1/include' make[2]: *** [install-am] Error 2 make[2]: Leaving directory `/home/ab/Masaüstü/gromacs-4.5.1/include' make[1]: *** [install-recursive] Error 1 make[1]: Leaving directory `/home/ab/Masaüstü/gromacs-4.5.1/include' make: *** [install-recursive] Error 1 2010/10/1 Justin A. Lemkul <[email protected]> > > > ahmet yıldırım wrote: > >> Hi, >> >> I've installed GROMACS 4.0.3 and MPI libraries using Ubuntu 9.04 Synaptic >> Package Manager. What else should I do? >> I want to run a simulation in parallel on a single PC. Which commands >> should I enter the terminal? >> >> > If I were you, I would uninstall this version (which is outdated by nearly > 2 years!) and get version 4.5.1. Installing from source is quite easy. Not > only will you benefit from hundreds of bug fixes and enhancements, but > running in parallel on a multi-core machine is no longer MPI-dependent, > making it somewhat easier. > > For usage and instructions, see the manual and any of the numerous > tutorials linked here: > > http://www.gromacs.org/Documentation/Tutorials#General > > -Justin > > > Thanks a lot for any instruction. >> >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 > -- Ahmet YILDIRIM
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