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

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 12 Mar 2013 09:55:51 -0700

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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>>
>>
>>
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Received on Tue Mar 12 2013 - 10:30:03 PDT
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