towhee-bugs Mailing List for MCCCS Towhee

Hello all,

>> Cofigured using '$./configure F77='ifort' CC='gcc'
>> ifort version 9.0
>> gcc version 4.0.2 20050901 (prerelease) (SUSE Linux)
>
> This combination of compilers does not play nice together.  You are better 
> off using the Intel C compiler if you are going to use the Intel Fortan 
> compiler.  Otherwise, try compling with g77 and gcc.

Thanks. It worked with ./configure F77='gfortran' CC='gcc' and it didn't 
work with ./configure F77='g77' CC='gcc'.

Regards,
Chaitanya.

-- 
Chaitanya Krishna A
Int. PhD Chemical Sciences
Solid State & Structural Chemistry Unit
Indian Institute of Science
Bangalore - 560 012

alt email   : ic...@gm..., icy...@ya...
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Chaitanya Krishna A wrote:

> Hello,
>
> I wonder if this can be called a bug.
>
> '$ make towhee' works, but
> '$ make forcefield' doesn't work.
>
> All the force field files ff*.F compile to the corresponding files but 
> it fails in the linking stage and 'make' gives the following message.
>
> gcc  -g   -o forcefield  arccos.o averages.o compare.o ffackl2004.o 
> ffalavi2005.o ffamber96.o ffaqvist.o ffc19eef1.o ffc19sasa.o 
> ffc27rigid.o ffcatlowfaux.o ffcharmm19.o ffcharmm22.o ffcharmm27.o 
> ffcharmm27x.o ffcheck.o ffclayff.o ffcompass.o ffcoon1987.o ffcreate.o 
> ffcui2002.o ffdacnisua.o ffdevel.o ffdick1994.o ffding1986.o 
> ffdreiding.o ffdubb2004.o ffelli2002.o ffepm.o ffgala1994.o ffgordon.o 
> ffgromos43a1.o fffris2003.o ffhardsphere.o ffkfvbvs.o fflast1993.o 
> fflgm.o ffljium.o ffmend2003.o ffmgmstereo.o ffmm2.o ffnerdv1.o 
> ffnerdv2.o ffnerdv3.o ffoplsaa.o ffoplsua.o ffopls2001.o ffpana1989.o 
> ffpmf.o ffreadcharmmfile.o ffreadsetflfile.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 ffvega1992.o 
> ffvink2001.o ffwalt2001.o ffweiner1984.o ffweiner1986.o getelement.o 
> getnbtype.o initialize.o inverthmatrix.o openfile.o readutils.o 
> rwforcefield.o -L/opt/intel/fc/9.0/lib -L/usr/lib -lifport -lifcore 
> -limf -lm -lirc -lirc_s
> /usr/lib/gcc/i586-suse-linux/4.0.2/../../../crt1.o: In function `_start':
> ../sysdeps/i386/elf/start.S:115: undefined reference to `main'
> collect2: ld returned 1 exit status
> make: *** [forcefield] Error 1
>
> My system configs are as follows:
> uname -a
> Linux achala 2.6.13-15.8-smp #1 SMP Tue Feb 7 11:07:24 UTC 2006 i686 
> i686 i386 GNU/Linux (SuSE 10.0)
>
> Cofigured using '$./configure F77='ifort' CC='gcc'
> ifort version 9.0
> gcc version 4.0.2 20050901 (prerelease) (SUSE Linux)

This combination of compilers does not play nice together.  You are 
better off using the Intel C compiler if you are going to use the Intel 
Fortan compiler.  Otherwise, try compling with g77 and gcc.

-- 
======================================================================
Jeffrey J. Potoff			  jp...@ch...
Assistant Professor			  Wayne State University		
Department of Chemical Engineering and Materials Science
5050 Anthony Wayne Dr			  Phone:(313)577-9357		
Detroit, MI 48202  	                  Fax:  (313)577-3810
http://potoff1.eng.wayne.edu
======================================================================

Hello,

I wonder if this can be called a bug.

'$ make towhee' works, but
'$ make forcefield' doesn't work.

All the force field files ff*.F compile to the corresponding files 
but it fails in the linking stage and 'make' gives the following message.

gcc  -g   -o forcefield  arccos.o averages.o compare.o ffackl2004.o 
ffalavi2005.o ffamber96.o ffaqvist.o ffc19eef1.o ffc19sasa.o ffc27rigid.o 
ffcatlowfaux.o ffcharmm19.o ffcharmm22.o ffcharmm27.o ffcharmm27x.o 
ffcheck.o ffclayff.o ffcompass.o ffcoon1987.o ffcreate.o ffcui2002.o 
ffdacnisua.o ffdevel.o ffdick1994.o ffding1986.o ffdreiding.o ffdubb2004.o 
ffelli2002.o ffepm.o ffgala1994.o ffgordon.o ffgromos43a1.o fffris2003.o 
ffhardsphere.o ffkfvbvs.o fflast1993.o fflgm.o ffljium.o ffmend2003.o 
ffmgmstereo.o ffmm2.o ffnerdv1.o ffnerdv2.o ffnerdv3.o ffoplsaa.o 
ffoplsua.o ffopls2001.o ffpana1989.o ffpmf.o ffreadcharmmfile.o 
ffreadsetflfile.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 
ffvega1992.o ffvink2001.o ffwalt2001.o ffweiner1984.o ffweiner1986.o 
getelement.o getnbtype.o initialize.o inverthmatrix.o openfile.o 
readutils.o rwforcefield.o -L/opt/intel/fc/9.0/lib -L/usr/lib -lifport 
-lifcore -limf -lm -lirc -lirc_s
/usr/lib/gcc/i586-suse-linux/4.0.2/../../../crt1.o: In function `_start':
../sysdeps/i386/elf/start.S:115: undefined reference to `main'
collect2: ld returned 1 exit status
make: *** [forcefield] Error 1

My system configs are as follows:
uname -a
Linux achala 2.6.13-15.8-smp #1 SMP Tue Feb 7 11:07:24 UTC 2006 i686 i686 
i386 GNU/Linux (SuSE 10.0)

Cofigured using '$./configure F77='ifort' CC='gcc'
ifort version 9.0
gcc version 4.0.2 20050901 (prerelease) (SUSE Linux)

Would be glad to receive any help. The Makefile was too complicated for me 
make any changes.

Regards,
Chaitanya.
-- 
Chaitanya Krishna A
Int. PhD Chemical Sciences
Prof. S Yashonath's Lab
Solid State & Structural Chemistry Unit
Indian Institute of Science
Bangalore - 560 012

alt email   : ic...@gm..., icy...@ya...
mobile      : +91 98445 29432
lab phone   : +91 80 2293 2336 (ext 2048/40)
bookmarks   : http://del.icio.us/icymist
connotea    : http://www.connotea.org/user/icymist