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

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Tue, 12 Mar 2013 21:29:03 +0530

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
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>
>
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Received on Tue Mar 12 2013 - 09:30:02 PDT
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