Re: [Towhee-bugs] Regarding TOWHEE compilation with Intel-MPI

[Marcus M. <me...@gm...>]

So, I'm assuming that Intel-MPI means a parallel compiler so in that case
you would need to turn on the parallel options in your configure script.

Something like
./configure --enable-mpi

should compile a parallel version of Towhee.

Of course, the parallel version of Towhee is mainly just a job launcher,
but hopefully this sorts out the issue you are having.

Marcus


On Thu, Feb 28, 2013 at 10:20 PM, <shr...@cd...> wrote:

> Dear Sir,
>    I am trying to compile Towhee with Intel-MPI version 4.0.3.008 and
> 4.1.0.018, but it is giving error me at last of installation process of
> make.
>
> mpiicc    -g   -o forcefield arccos.o averages.o compare.o crossproduct.o
> distance.o dotproduct.o ffackl2004.o ffalavi2005.o ffamber96.o ffaqvist.o
> ffc19eef1.o ffc19sasa.o ffc27rigid.o ffcatlowfaux.o ffcharmm19.o
> ffcharmm22.o ffcharmm22fe.o ffcharmm27.o ffcharmm27x.o ffcheck.o
> ffclayff.o ffcompass.o ffcoon1987.o ffcreate.o ffcui1998.o ffcui2002.o
> ffdacnisua.o ffdevel.o ffdick1994.o ffding1986.o ffdreiding.o ffdubb2004.o
> ffdws2001.o ffelli2002.o ffepm.o ffgala1994.o ffgordon.o ffgromos43a1.o
> fffris2003.o fffris2008.o ffhardsphere.o ffjaramillo.o ffkfvbvs.o
> fflast1993.o fflgm.o ffljium.o ffmcy1976.o ffmend2003.o ffmgmstereo.o
> ffmm2.o ffmmff94.o ffmorrow2002.o ffnerdv1.o ffnerdv2.o ffnerdv3.o
> ffoplsaa.o ffoplsua.o ffopls1996.o ffopls2001.o ffpana1989.o ffpmf.o
> ffpotter1997.o ffqmff_viii.o ffreadcharmmfile.o ffreadsetflfile.o
> ffrichar1995.o ffshah2004.o ffshukla1987.o ffsks.o ffsmith1994.o
> ffsmmkmain.o ffsmmknaip.o ffspce.o ffsquarewell.o ffstil1985.o ffsum2003.o
> fftele1987.o fftip3p.o fftip4p.o fftip5p.o fftrappeeh.o fftrappeua.o
> fftrappeuaf.o ffuff.o ffunlu2004.o ffvahid2010.o ffvega1992.o ffvink2001.o
> ffwalt2001.o ffweiner1984.o ffweiner1986.o ffwielop1985.o getelement.o
> getnbtype.o globalaccess.o globaldata.o initialize.o inverthmatrix.o
> openfile.o readutils.o rwforcefield.o scaled_potential.o globalinfo.o
> -L/share/apps/intelcs/impi/4.0.3.008/intel64/lib
> -L/share/apps/intelcs/composer_xe_2011_sp1.6.233/compiler/lib/intel64
> -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6
> -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../../../lib64 -L/lib/../lib64
> -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../..
> -L/lib64 -L/lib -L/usr/lib64 -L/usr/lib -ldl -lmpi_dbg -lmpigf -lmpigi
> -lpthread -lrt -lifport -lifcore -limf -lsvml -lm -lipgo -lirc -lgcc_s
> -lirc_s
> /usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../../../lib64/crt1.o: In
> function `_start':
> (.text+0x20): undefined reference to `main'
> make[1]: *** [forcefield] Error 1
> make[1]: Leaving directory
>
> `/home/shraddha/APPLI/TOWHEE/intel/Intel-12-1-0/IMPI-403008/towhee-7.0.4/Source'
> make: *** [all-recursive] Error 1
>
>    Can you please provide me proper configure option to be used to compile
> Towhee sucessfully with Intel-MPI.
>
> Regards,
> Shraddha
> Senior Technical Officer, HPC Solutions Group
> C-DAC R&D,Pune
> Website: www.cdac.in
>
>
>
>
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