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-- Sonali Dhindwal “Live as if you were to die tomorrow. Learn as if you were to live forever.” --- On Thu, 14/4/11, Daniel Roe <daniel.r.roe.gmail.com> wrote: From: Daniel Roe <daniel.r.roe.gmail.com> Subject: Re: [AMBER] Error while installing amber11 To: "AMBER Mailing List" <amber.ambermd.org> Date: Thursday, 14 April, 2011, 5:11 PM Hi, It looks like your errors are related to the NCSU portion of the code, which is responsible for advanced sampling techniques, such as ABMD, umbrella sampling, steered MD, etc. done in a very general way. I suspect the compiler you are using is gnu 4.1.2; it is known that the NCSU code does not compile correctly with this version of the gnu compilers. If you don't need to use the NCSU functionality you should be fine, otherwise you will need to upgrade to a more recent gnu compiler version. -Dan On Thu, Apr 14, 2011 at 12:26 AM, sonali dhindwal <sonali11dhindwal.yahoo.co.in> wrote: > Thanks a lot Case and Daniel > > I did "make install", and again it was giving numerour errors, which Daniel told that these may be related to xleap only. So, I hope I don't have to worry much about it. (I have attached that file) > > After that I did > > cd $AMBERHOME/test > make test > > It is giving > 13 file comparisons failed > 4 tests experienced errors > > Log files I have attached with the mail. > Can you please help, if these errors are serious ? or related to xleap only, or there is some error in the installation. > It will be really helpful > > -- > Sonali Dhindwal > > “Live as if you were to die tomorrow. Learn as if you were to live forever.” > > --- On Wed, 13/4/11, David A Case <case.biomaps.rutgers.edu> wrote: > > From: David A Case <case.biomaps.rutgers.edu> > Subject: Re: [AMBER] Error while installing amber11 > To: "AMBER Mailing List" <amber.ambermd.org> > Date: Wednesday, 13 April, 2011, 10:20 PM > > On Wed, Apr 13, 2011, sonali dhindwal wrote: > >> with running the configure script, i hope u mean that when i do >> >> ./configure gnu >> it gives the following output: > ... > >> The configuration file, config.h, was successfully created. >> The next step is to type 'make install' > > This looks fine: go ahead and type "make install". > >> and i m a beginner in amber, can we use it without xleap also ? > > Yes: xleap has its uses, but my guess is that the majority of Amber users > get along fine without it. > > ...dac > > > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber > > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber > > _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Thu Apr 14 2011 - 07:00:04 PDT