Re: [AMBER] Installation error on cray machine

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 11 Jan 2019 20:06:31 -0500

Hi,

I'm pretty sure on most cray machines they use wrappers around their
compilers, so since you are configuring for GNU compilers you should
probably specify the '-crayxt5' configure flag as well.

-Dan

On Fri, Jan 11, 2019 at 12:35 PM Sundar <jubilantsundar.gmail.com> wrote:
>
> Hi Daniel,
> My configure argument was './configure gnu'
> And yes it checks libbz2 OK. The only warning was with 'boost', which I
> ignoreed.
>
> NetCDF build succeeded.
>
> Checking for zlib: OK
>
> Checking for libbz2: OK
>
> Testing the CC compiler with boost:
> CC -fPIC testp.cpp -lboost_thread -lboost_system -o testp
>
> Warning: Could not link to boost. Ensure boost-thread, boost-system and
> boost headers are installed.
> Warning: Failed command:
> CC -fPIC -lboost_thread -lboost_system -o testp testp.cpp
> Warning: Check boost.compile.err for error details.
> Warning: Memembed functionality in packmol_memgen not available.
>
> Configuring fftw-3.3 (may be time-consuming)...
>
> fftw-3.3 configure succeeded.
>
> Configuring XBLAS (may be time-consuming)...
>
> XBLAS configure succeeded.
>
> Configuring CPPTRAJ...complete.
>
> The configuration file, config.h, was successfully created.
>
> Thanks,
> Jubilant
>
> On Fri, Jan 11, 2019 at 7:52 AM Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> > Hi,
> >
> > What were the arguments you gave to 'configure'? There is a check for
> > libbz2 during configure, did it say OK?
> >
> > -Dan
> >
> > On Thu, Jan 10, 2019 at 3:24 PM Sundar <jubilantsundar.gmail.com> wrote:
> > >
> > > Following error occurred while installing the serial version on a CRAY
> > > supercomputer.
> > > Any help on troubleshooting
> > >
> > > $ make install
> > > .
> > > .
> > > .
> > > /usr/bin/ld: cannot find -lbz2
> > > collect2: error: ld returned 1 exit status
> > > Makefile:25: recipe for target 'cpptraj' failed
> > > make[4]: *** [cpptraj] Error 1
> > > make[4]: Leaving directory
> > > '/p/home/tools/amber18/AmberTools/src/cpptraj/src'
> > > Makefile:10: recipe for target 'install' failed
> > > make[3]: *** [install] Error 2
> > > make[3]: Leaving directory '/p/home/tools/amber18/AmberTools/src/cpptraj'
> > > Makefile:482: recipe for target 'build_cpptraj' failed
> > > make[2]: *** [build_cpptraj] Error 2
> > > make[2]: Leaving directory '/p/home/tools/amber18/AmberTools/src'
> > > Makefile:27: recipe for target 'serial' failed
> > > make[1]: *** [serial] Error 2
> > > make[1]: Leaving directory '/p/home/tools/amber18/AmberTools/src'
> > > Makefile:7: recipe for target 'install' failed
> > > make: *** [install] Error 2
> > >
> > > I made sure the bzip2 is in my path.
> > >
> > > --
> > > Thanks,
> > > Jubilant
> > > _______________________________________________
> > > 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
> >
>
>
> --
> Thanks,
> Sundar Thangapandian
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

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Received on Fri Jan 11 2019 - 17:30:02 PST
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