Re: [gmx-users] Continuation diferent machine.
Thank you Erick for your rapidly responce. On Tuesday 07 August 2007 7:58 pm, Erik Lindahl wrote: > Binary identical means that the files are identical bit-for-bit, i.e. > if you ran "cmp traj1.trr traj2.trr" it would report the files to be > the same/indistinguishable. > > This is normally only important for debugging. If you don't know it > doesn't apply to you :-) > > All that matters for you is that 3.3 >= 3.2, so it should work fine; > the hardware doesn't matter. > > Cheers, > > Erik > > On Aug 8, 2007, at 12:25 AM, Anthony Cruz wrote: > > Hi Erick, > > > > Thank you for you responce. I am sorry but I dont unterstand the term > > "_binary_ identical results". The first simulation was run on a > > linux machine > > (pentium 4) with gromacs 3.2 from the rpm included in suse. The new > > machine > > will be (Pentium4 Xeon) with gromacs 3.3 (manual compiled) with > > SDSC"s Rocks > > clustering system. I think that the architecturesare more or less > > the same. I > > am correct??? So I could continue the job in the new machine??? > > > > Best Regards, > > Anthony > > > > On Tuesday 07 August 2007 5:25 pm, Erik Lindahl wrote: > >> Hi Anthony, > >> > >> As long as the version you're continuing with is the same or more > >> recent than the one you started with it should work fine; all gromacs > >> output files are stored in portable formats and are can be read by > >> newer versions. > >> > >> You are not guaranteed _binary_ identical results, though - that > >> depends on the compiler, or if you are running on architectures where > >> we use tuned assembly loops. > >> > >> > >> Cheers, > >> > >> Erik > >> > >> On Aug 7, 2007, at 10:57 PM, Anthony Cruz wrote: > >>> Hi users: > >>> I have made some simulation in one of our workstation. Now I want > >>> to extend > >>> the simulations few nanoseconds. I can continue the simulations in > >>> other > >>> machine without affecting the results? I need to use the same > >>> gromacs > >>> version? > >>> > >>> Best Regards, > >>> > >>> Anthony > >>> ___ > >>> gmx-users mailing listgmx-users@gromacs.org > >>> http://www.gromacs.org/mailman/listinfo/gmx-users > >>> Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > >> > >> ___ > >> gmx-users mailing listgmx-users@gromacs.org > >> http://www.gromacs.org/mailman/listinfo/gmx-users > >> Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > > > > ___ > > gmx-users mailing listgmx-users@gromacs.org > > http://www.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > > ___ > gmx-users mailing listgmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
Re: [gmx-users] Continuation diferent machine.
Binary identical means that the files are identical bit-for-bit, i.e. if you ran "cmp traj1.trr traj2.trr" it would report the files to be the same/indistinguishable. This is normally only important for debugging. If you don't know it doesn't apply to you :-) All that matters for you is that 3.3 >= 3.2, so it should work fine; the hardware doesn't matter. Cheers, Erik On Aug 8, 2007, at 12:25 AM, Anthony Cruz wrote: Hi Erick, Thank you for you responce. I am sorry but I dont unterstand the term "_binary_ identical results". The first simulation was run on a linux machine (pentium 4) with gromacs 3.2 from the rpm included in suse. The new machine will be (Pentium4 Xeon) with gromacs 3.3 (manual compiled) with SDSC"s Rocks clustering system. I think that the architecturesare more or less the same. I am correct??? So I could continue the job in the new machine??? Best Regards, Anthony On Tuesday 07 August 2007 5:25 pm, Erik Lindahl wrote: Hi Anthony, As long as the version you're continuing with is the same or more recent than the one you started with it should work fine; all gromacs output files are stored in portable formats and are can be read by newer versions. You are not guaranteed _binary_ identical results, though - that depends on the compiler, or if you are running on architectures where we use tuned assembly loops. Cheers, Erik On Aug 7, 2007, at 10:57 PM, Anthony Cruz wrote: Hi users: I have made some simulation in one of our workstation. Now I want to extend the simulations few nanoseconds. I can continue the simulations in other machine without affecting the results? I need to use the same gromacs version? Best Regards, Anthony ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
Re: [gmx-users] Continuation diferent machine.
Hi Erick, Thank you for you responce. I am sorry but I dont unterstand the term "_binary_ identical results". The first simulation was run on a linux machine (pentium 4) with gromacs 3.2 from the rpm included in suse. The new machine will be (Pentium4 Xeon) with gromacs 3.3 (manual compiled) with SDSC"s Rocks clustering system. I think that the architecturesare more or less the same. I am correct??? So I could continue the job in the new machine??? Best Regards, Anthony On Tuesday 07 August 2007 5:25 pm, Erik Lindahl wrote: > Hi Anthony, > > As long as the version you're continuing with is the same or more > recent than the one you started with it should work fine; all gromacs > output files are stored in portable formats and are can be read by > newer versions. > > You are not guaranteed _binary_ identical results, though - that > depends on the compiler, or if you are running on architectures where > we use tuned assembly loops. > > > Cheers, > > Erik > > On Aug 7, 2007, at 10:57 PM, Anthony Cruz wrote: > > Hi users: > > I have made some simulation in one of our workstation. Now I want > > to extend > > the simulations few nanoseconds. I can continue the simulations in > > other > > machine without affecting the results? I need to use the same gromacs > > version? > > > > Best Regards, > > > > Anthony > > ___ > > gmx-users mailing listgmx-users@gromacs.org > > http://www.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > > ___ > gmx-users mailing listgmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
Re: [gmx-users] Continuation diferent machine.
Hi Anthony, As long as the version you're continuing with is the same or more recent than the one you started with it should work fine; all gromacs output files are stored in portable formats and are can be read by newer versions. You are not guaranteed _binary_ identical results, though - that depends on the compiler, or if you are running on architectures where we use tuned assembly loops. Cheers, Erik On Aug 7, 2007, at 10:57 PM, Anthony Cruz wrote: Hi users: I have made some simulation in one of our workstation. Now I want to extend the simulations few nanoseconds. I can continue the simulations in other machine without affecting the results? I need to use the same gromacs version? Best Regards, Anthony ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
[gmx-users] Continuation diferent machine.
Hi users: I have made some simulation in one of our workstation. Now I want to extend the simulations few nanoseconds. I can continue the simulations in other machine without affecting the results? I need to use the same gromacs version? Best Regards, Anthony ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
