[molpro-user] Molpto 2012 installation trouble

[Andy May]

Jean-Pierre,

You need to try what the error message advises, i.e. create a trivial 
Fortran file, eg. test.f90

program test
end

and compile with the options that were printed out:

ifort  -i8 -pc64 -auto -vec-report0 -warn nousage -align array32byte 
-cxxlib  -O0  -lpthread 
/.../Molpro/src/boost-install/lib/libboost_system.a 
/.../Molpro/src/boost-install/lib/libboost_thread.a -lrt test.f90

to see what the error message is.

Best wishes,

Andy

On 16/12/14 17:20, DOGNON Jean-Pierre wrote:
> Dear all,
>
> I tried to install Molpro 2012.1 PL19 with the command (/…/ replaces the
> full path in the email):
>
> ./configure -batch -openmpi -ifort -icc -mpp -mppbase
> /.../openmpi-1.6.5/include -blaspath
> /.../intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64 -prefix /…/Molpro
>
> on a Linux machine (CentOS 5.8) with Intel compiler.
>
> I have the following error:
>
> ./configure -batch -openmpi -ifort -icc -mpp -mppbase
> /.../openmpi-1.6.5/include -blaspath
> /.../intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64 -prefix /.../Molpro
>
> machine type recognized as x86_64 (Generic 64-bit)
> kernel recognized as Linux
>
> user request compiler ifort
> Intel Fortran Compiler, Version 14.0.3
> FC=/.../intel/composer_xe_2013_sp1.3.174/bin/intel64/ifort
>
> user request compiler icc
> Intel C compiler, Version 14.0.3
> CC=/.../intel/composer_xe_2013_sp1.3.174/bin/intel64/icc
>
> Use BLAS library - Intel 64-bit Math Kernel Library (MKL) for Linux
> BLASLIB=-L/.../intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64
> -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core
>
> MPILIB=-L/.../openmpi-1.6.5/lib -lmpi_f77 -lmpi -ldl -lm
> -Wl,--export-dynamic -lrt -lnsl -lutil
>
> building boost_1_57_0, each step could take a few minutes
>
> ./bootstrap.sh
> ./tools/build/b2 --prefix=../boost-install link=static toolset=intel
> --with-system --with-thread install
>
> unable to link with parse object using:
>
> /.../intel/composer_xe_2013_sp1.3.174/bin/intel64/ifort  -i8 -pc64 -auto
> -vec-report0 -warn nousage -align array32byte -cxxlib  -O0  -lpthread
> /.../Molpro/src/boost-install/lib/libboost_system.a
> /.../Molpro/src/boost-install/lib/libboost_thread.a -lrt
>
> Please check the compiler is working, flags are correct and all
> libraries are present
>
> failed to determine PARSE
>
> Result so far of configure written to CONFIG.errout
>
> I have tried with -noboost option without changes. Nothing wrong does
> not seem to be identified in CONFIG.errout. OpenMPI was compiled
> withe the same compilers.
>
> Have you an idea?
>
> Thank you,
>
> Best regards,
>
> Jean-Pierre
>
>
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