Re: [AMBER] Problem in parallel installation of Amber 12

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 12 Mar 2013 15:17:28 -0400

As a note, you can also get this error by compiling with two different
versions of the Intel compiler. It is worth comparing the output of "which
ifort" with "mpif90 -show" to make sure that the same version of ifort is
being used in each case.

HTH,
Jason

On Tue, Mar 12, 2013 at 12:55 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Kshatresh,
>
> Did you build the serial version with the Intel compilers as well? My
> guess is that somehow your netcdf in AMBER was previously built with gnu
> compilers.
>
> Your quickest option is probably to start with a completely clean tree,
> from untarring the distribution files, run ./configure intel a few times
> until it no longer asks if you want to patch things. Then run make, then
> ./configure -mpi intel; make - and see if it then works.
>
> All the best
> Ross
>
>
> On 3/12/13 8:59 AM, "Kshatresh Dutta Dubey" <kshatresh.gmail.com> wrote:
>
> >Dear Ross,
> >
> >Thanks for your quick reply. I checked and followings are the out of
> >mpif90
> >-show' and 'mpicc -show' respectively-
> >
> >/opt/intel/Compiler/11.1/046/bin/intel64/ifort
> >-I/opt/mpi/openmpi/1.4.5/intel/include -fexceptions
> >-I/opt/mpi/openmpi/1.4.5/intel/lib -L/opt/mpi/openmpi/1.4.5/intel/lib
> >-lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -Wl,--export-dynamic
> >-lnsl -lutil
> >
> >and
> >
> >/opt/intel/Compiler/11.1/046/bin/intel64/icc
> >-I/opt/mpi/openmpi/1.4.5/intel/include -fexceptions -pthread
> >-L/opt/mpi/openmpi/1.4.5/intel/lib -lmpi -lopen-rte -lopen-pal -ldl
> >-Wl,--export-dynamic -lnsl -lutil
> >
> >Regards
> >Kshatresh
> >
> >
> >
> >On Tue, Mar 12, 2013 at 9:23 PM, Ross Walker <ross.rosswalker.co.uk>
> >wrote:
> >
> >> Hi Kshatresh,
> >>
> >>
> >> It looks to me like you MPI installation is incorrectly configured. Note
> >> the error:
> >>
> >> ncsu-umbrella.F90(9): error #7013: This module file was not generated by
> >> any release of this compiler. [NETCDF]
> >> use netcdf, only : nf90_double, nf90_float
> >> ----^
> >>
> >>
> >> This suggests that there is a compiler mismatch. You should check what
> >> 'mpif90 -show' and 'mpicc -show' returns.
> >>
> >> All the best
> >> Ross
> >>
> >> On 3/12/13 8:41 AM, "Kshatresh Dutta Dubey" <kshatresh.gmail.com>
> wrote:
> >>
> >> >Dear Users
> >> >
> >> >I am installing Amber 12 on IBM cluster Rocks 6, Centos. I have
> >> >successfully installed the serial version. However, when I am
> >>installing
> >> >parallel version using ifort compiler, it is giving several errors. The
> >> >log
> >> >file during make install and configure is attached.
> >> >I'll deeply appreciate your suggestions.
> >> >
> >> >Regards
> >> >_______________________________________________
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> >> >AMBER.ambermd.org
> >> >http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
> >>
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Mar 12 2013 - 12:30:02 PDT
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