[gmx-users] diferent version of gcc
Hello gmx users I have a question related to gromacs compilationin the same machine, are there any difference in the result of MD when I compile the same version of gromacs but with diferent version of gcc?also, gcc 4.1.x still broken?I use Debian 5 and Debian 6 on amd phenom II quad core. Thanks in advance. Víctor E. Bahamonde Padilla Laboratorio de Fisicoquímica Molecular Departamento de Química Facultad de Ciencias Universidad de Chile Phone: 562-978-7443 vedua...@ug.uchile.cl -- gmx-users mailing listgmx-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
Re: [gmx-users] diferent version of gcc
On 23/09/2011 10:19 AM, Víctor Bahamonde wrote: Hello gmx users I have a question related to gromacs compilation in the same machine, are there any difference in the result of MD when I compile the same version of gromacs but with diferent version of gcc? Yes, MD systems are chaotic. The tiniest differences in the executable will cause trajectories from the same starting point to diverge. They're sampling the same ensemble, i.e. within the limits of the model being used, but they don't necessarily reproduce each other. also, gcc 4.1.x still broken? It is thought that some 4.1.x version is broken for GROMACS. Mark I use Debian 5 and Debian 6 on amd phenom II quad core. Thanks in advance. /Víctor E. Bahamonde Padilla Laboratorio de Fisicoquímica Molecular Departamento de Química Facultad de Ciencias Universidad de Chile Phone: 562-978-7443 vedua...@ug.uchile.cl/ -- gmx-users mailing listgmx-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
Re: [gmx-users] diferent version of gcc
2011/9/23 Víctor Bahamonde nicegrom...@live.cl Hello gmx users I have a question related to gromacs compilation in the same machine, are there any difference in the result of MD when I compile the same version of gromacs but with diferent version of gcc? also, gcc 4.1.x still broken? I use Debian 5 and Debian 6 on amd phenom II quad core. http://packages.debian.org/sid/gromacs http://packages.debian.org/wheezy/gromacs They have had already well built .deb ball there. Install from your favoriate package management. Thanks in advance. *Víctor E. Bahamonde Padilla Laboratorio de Fisicoquímica Molecular Departamento de Química Facultad de Ciencias Universidad de Chile Phone: 562-978-7443 vedua...@ug.uchile.cl* -- gmx-users mailing listgmx-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 -- Best Regards, lina -- gmx-users mailing listgmx-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
