On Tue, Jun 1, 2010 at 12:25 AM, Jignesh Patel <jbp087.gmail.com> wrote:
> Have you extracted both ambertools and amber in one single directory?
>
> First only extract ambertools and then installed it. After that rename that
> directory as amber10 and extract files of amber in same directory. Then
> install amber.
>
No, do not do this. You have to download and install AmberTools-1.2 in the
amber10 directory. Do NOT combine AmberTools-1.4 and amber10 in the same
directory, it will not work.
All the best,
Jason
> I think it will work.
>
> With regard
> Jignesh
> NIPER
> MOHALI
> E-mail: - jbp087.gmail.com
>
> On Mon, May 31, 2010 at 10:35 AM, Sangita Kachhap <sangita.imtech.res.in
> >wrote:
>
> > Hello all
> > I am installing amber10.I have compiled it in serial using ifort.But when
> I
> > am
> > compiling it in parallel with openmpi and ifort it is giving the
> fowolling
> > error:
> >
> > [sangita.master1 src]$ make parallel
> > Starting installation of Amber10 (parallel) at Mon May 31 22:55:09 IST
> > 2010.
> > cd sander; make parallel
> > make[1]: Entering directory `/home/sangita/amber10/src/sander'
> > ./checkparconf
> > cpp -traditional -I/opt/cluster/mpi/openmpi-1.3.3_intel/include -P
> > -DBINTRAJ
> > -DMPI constants.f > _constants.f
> > /opt/cluster/mpi/openmpi-1.3.3_intel/bin/mpif90 -c -w95 -vec_report0
> -mp1
> > -ip
> > -O3 -axWP -FR -o constants.o _constants.f
> > /opt/cluster/mpi/openmpi-1.3.3_intel/bin/mpif90: error while loading
> shared
> > libraries: libsvml.so: cannot open shared object file: No such file or
> > directory
> > make[1]: *** [constants.o] Error 127
> > make[1]: Leaving directory `/home/sangita/amber10/src/sander'
> > make: *** [parallel] Error 2
> >
> > can anybody suggest me how to resolve this problem.
> >
> > With regard
> > Sangita Kachhap
> > JRF
> > BIC,IMTECH
> > CHANDIGARH
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Yours faithfully,
> Jignesh Patel
> M.S.(Pharm.)
> Center for Pharmacoinformatics
> NIPER
> S.A.S. Nagar
> India
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Jun 01 2010 - 07:00:07 PDT
