Re: [AMBER] AMBER 9 install gfortran, not need AmberTool

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 14 Feb 2011 20:48:59 -0500

2011/2/14 gromacs <ptf1242.163.com>

> Hi Jason,
>
> After i
> sudo make serial -noX11
>

This is not a flag that is given to "make", it's given to "configure". The
error you sent previously was about "yacc", which is used by nab I believe,
not leap.


>
> and then
>
> make test.seria
>
> It run for a long time, and showing:
>
> cd xxx; ./RUN.xxx
> xxxxx
> PASSED
>
> Does it indicate the AMBER 9 is installed succussful??
>

The tests that pass should show that functionality works.

Good luck,
Jason


>
>
>
>
>
>
> At 2011-02-15 08:42:54,"Jason Swails" <jason.swails.gmail.com> wrote:
>
> >2011/2/14 gromacs <ptf1242.163.com>
> >
> >> The version i install is AMBER 9, not AMBER 10 or AMBER 11. It seems
> AMBER
> >> 9 not need AmberTool, Do i need to still instll AmberTool?
> >>
> >
> >At this point Amber and AmberTools were released as the same package. It
> >wasn't until Amber10 that they were separate distributions (and not until
> >Amber 11 that they were released with different root directories). You do
> >not need to install any later version of AmberTools in order to get Amber
> 9
> >to work.
> >
> >
> >>
> >> And If i install AMBER 9, are there still 2 bugfix.all files that will
> have
> >> to apply?
> >>
> >
> >No, just the 1 bugfix.all
> >
> >
> >>
> >> I am using Ubuntu, for install AMBER 9 xorg-dev package also need??
> >>
> >
> >For xleap, yes. You can specifically ask for no xleap (with the flag
> -noX11
> >maybe, or something related), which should avoid this error. If you want
> to
> >build xleap, then you will need the xorg-dev package:
> >
> >sudo apt-get install xorg-dev
> >
> >
> >>
> >> I download l_fcompxe_ia32_2011.2.137.tgz, and it is the latest version.
> But
> >> after i finished, i type 'which ifort', it did not give any response.
> >>
> >
> >Most likely you have to source the appropriate ifortvars.sh variable. For
> >my machine, ifort is located in
> >/opt/intel/Compiler/11.1/069/bin/ifortvars.sh . I load the proper
> >environment variables by placing the command
> >
> >source /opt/intel/Compiler/11.1/069/bin/ifortvars.sh intel64
> >
> >(or ia32 for 32-bit OSes).
> >
> >After sourcing this file (if you just place it in the .bashrc you will
> >either have to source the .bashrc again or start a new shell to see its
> >effects), type "which ifort" and see if it becomes visible.
> >
> >Good luck,
> >Jason
> >
> >
> >>
> >>
> >> Thanks
> >>
> >>
> >>
> >> At 2011-02-14 20:41:27,"Jason Swails" <jason.swails.gmail.com> wrote:
> >>
> >> >2011/2/14 gromacs <ptf1242.163.com>
> >> >
> >> >> Hi,
> >> >>
> >> >> WcActCB.c:1450: error: expected declaration specifiers before
> ‘Widget’
> >> >> WcActCB.c:1450: error: expected declaration specifiers before
> ‘XEvent’
> >> >> WcActCB.c:1450: error: expected declaration specifiers before
> ‘Cardinal’
> >> >> WcActCB.c: In function ‘WcDynamicCallbackACT’:
> >> >> WcActCB.c:1452: error: expected declaration specifiers before
> ‘Widget’
> >> >> WcActCB.c:1452: error: expected declaration specifiers before
> ‘XEvent’
> >> >> WcActCB.c:1452: error: expected declaration specifiers before
> ‘Cardinal’
> >> >> WcActCB.c: In function ‘WcRegisterWcActions’:
> >> >> WcActCB.c:1461: error: expected declaration specifiers before
> >> >> ‘XtAppContext’
> >> >> WcActCB.c:1463: error: expected ‘=’, ‘,’, ‘;’, ‘asm’ or
> ‘__attribute__’
> >> >> before ‘WcActions’
> >> >> WcActCB.c:1463: error: ‘WcActions’ undeclared (first use in this
> >> function)
> >> >> WcActCB.c:1463: error: expected expression before ‘]’ token
> >> >> WcActCB.c:1536: error: expected ‘=’, ‘,’, ‘;’, ‘asm’ or
> ‘__attribute__’
> >> >> before ‘already’
> >> >> WcActCB.c:1536: error: ‘already’ undeclared (first use in this
> function)
> >> >> make[2]: *** [WcActCB.o] Error 1
> >> >> make[2]: Leaving directory
> `/home/uqtpeng1/AMBER/amber9/src/leap/src/Wc'
> >> >> make[1]: *** [install] Error 2
> >> >> make[1]: Leaving directory `/home/uqtpeng1/AMBER/amber9/src/leap'
> >> >> make: *** [serial] Error 2
> >> >>
> >> >> I have gfortran and i installed at different desktops. When 'sudo
> make
> >> >> series', the error will come. WcCreate.h:,
> >> >>
> >> >
> >> >Have you applied all bug fixes to your version of Amber and AmberTools
> >> (note
> >> >there will be 2 bugfix.all files that you will have to apply.
> >> >
> >> >
> >> >>
> >> >> How can i solve this problem. I also cannot find a ifort in Inter
> >> website.
> >> >> Even if i download the interfortran from that site, it is not easy to
> >> >> install.
> >> >>
> >> >
> >> >Make sure that you have all bug fixes applied and that you have the X
> >> >developer package installed:
> >> >
> >> >On new Fedora OS's install the libXt-devel libXext-devel
> >> >libX11-devel libICE-devel libSM-devel packages.
> >> >On old Fedora OS's install the xorg-x11-devel package.
> >> >On RedHat OS's install the XFree86-devel package.
> >> >On Ubuntu OS's install the xorg-dev package.
> >> >For the moment Amber will be configured not to build XLEaP.
> >> >
> >> >As far as installing the intel compiler suite; if you have obtained a
> >> >license for it (academic or commercial or whatever), you get an
> installer
> >> >package that you just have to launch and follow the on-screen prompts
> (at
> >> >least for versions as recent as 11.1.069).
> >> >
> >> >Good luck!
> >> >Jason
> >> >
> >> >>
> >> >>
> >> >> _______________________________________________
> >> >> AMBER mailing list
> >> >> AMBER.ambermd.org
> >> >> http://lists.ambermd.org/mailman/listinfo/amber
> >> >>
> >> >
> >> >
> >> >
> >> >--
> >> >Jason M. Swails
> >> >Quantum Theory Project,
> >> >University of Florida
> >> >Ph.D. Candidate
> >> >352-392-4032
> >> >_______________________________________________
> >> >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
> >>
> >
> >
> >
> >--
> >Jason M. Swails
> >Quantum Theory Project,
> >University of Florida
> >Ph.D. Candidate
> >352-392-4032
> >_______________________________________________
> >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
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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AMBER.ambermd.org
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Received on Mon Feb 14 2011 - 18:00:03 PST
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