[CPMD-list] CPMD11.1 compilation in AMD cluster

[Axel Kohlmeyer]

On Mon, 21 Apr 2008, Jiten wrote:

JS> Thanks Axel,
JS> 
JS> > looks like your mpif77 was compiled to use pgf77 and not pgf90.
JS> > as a workaround remove -D__pgf90 from CPPFLAGS in your makefile,
JS> > do a "make clean", and then recompile with "make".
JS> 
JS> I pass this - then stuck here again. For your information, I still have not
JS> compiled GROMOS.

ahhhh yes. i always wanted to fix this. this has nothing to do
with gromos, but the fact that some people contributing code to
CPMD don't pay attention to the fact that there are still people
around that compile CPMD with a fortran 77 compiler. :-(

you either have to change the code (or comment out the body
of the subroutine which is unlikely that you'll use it) or
compile CPMD with mpif90 (and re-introduce -D__pgf90).

in any case, if you have an option to compile with an intel
compiler instead of PGI, you should do that instead and 
you can forget about these idiosyncasies (and get a slightly
faster executable, too).

cheers,
   axel.

JS> 
JS> /lib/cpp -P -C -traditional -D__Linux -D__PGI -DFFT_DEFAULT -DPOINTER8
JS> -DPARALLEL -DMYRINET   ./meta_cv_qmmm.F ./meta_cv_qmmm.f
JS> mpif77 -c -fastsse -tp k8-64 -r8 -pc=64 -Msignextend   ./meta_cv_qmmm.f -o
JS> ./meta_cv_qmmm.o
JS> PGFTN-S-0038-Symbol, cycle, has not been explicitly declared
JS> (./meta_cv_qmmm.f: 255)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 255)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 258)
JS>  0 inform,   0 warnings,   3 severes, 0 fatal for coorntot_rf_q
JS> PGFTN-S-0038-Symbol, cycle, has not been explicitly declared
JS> (./meta_cv_qmmm.f: 429)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 429)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 432)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 434)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 449)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 452)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 454)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 474)
JS> PGFTN-S-0034-Syntax error at or near end of line (./meta_cv_qmmm.f: 477)
JS>  0 inform,   0 warnings,   9 severes, 0 fatal for coornseq_rf
JS> make: *** [meta_cv_qmmm.o] Error 2
JS> 
JS> Best wishes,
JS> 
JS> Jiten
JS> ----- Original Message ----- From: "Axel Kohlmeyer"
JS> <akohlmey at cmm.chem.upenn.edu>
JS> To: "Jiten" <jiten at postech.ac.kr>
JS> Cc: <cpmd-list at cpmd.org>
JS> Sent: Monday, April 21, 2008 5:14 PM
JS> Subject: Re: [CPMD-list] CPMD11.1 compilation in AMD cluster
JS> 
JS> 
JS> > On Mon, 21 Apr 2008, Jiten wrote:
JS> >
JS> > JS> Hello CPMD users,
JS> >
JS> > hello jiten,
JS> >
JS> > JS> Here is the error
JS> > JS>
JS> > JS>mpif77 -c -fastsse -tp k8-64 -r8 -pc=64 -Msignextend   ./fileopen.f -o 
JS> > ./fileopen.o
JS> > JS> PGFTN-S-0038-Symbol, position, has not been explicitly declared
JS> > (./fileopen.f: 110)
JS> > JS> PGFTN-S-0034-Syntax error at or near = (./fileopen.f: 110)
JS> > JS>   0 inform,   0 warnings,   2 severes, 0 fatal for fileopen
JS> > JS> make: *** [fileopen.o] Error 2
JS> > JS>
JS> > JS>Any suggestions to fix this problem.
JS> >
JS> > looks like your mpif77 was compiled to use pgf77 and not pgf90.
JS> > as a workaround remove -D__pgf90 from CPPFLAGS in your makefile,
JS> > do a "make clean", and then recompile with "make".
JS> >
JS> > cheers,
JS> >    axel.
JS> >
JS> > JS>
JS> > JS> Best wishes,
JS> > JS>
JS> > JS> N. Jiten Singh
JS> > JS> C/O Prof. Kwang S. Kim
JS> > JS> Department of Chemistry
JS> > JS> Pohang University of Science and Technology
JS> > JS> San 31, Hyojadong, Namgu
JS> > JS> Pohang 790-784, Korea
JS> > JS> Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
JS> > JS> Fax : 82-54-279-8137 (or +82-54-279-3399)
JS> > JS> Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
JS> >
JS> > -- 
JS> > =======================================================================
JS> > Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
JS> >   Center for Molecular Modeling   --   University of Pennsylvania
JS> > Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
JS> > tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
JS> > =======================================================================
JS> > If you make something idiot-proof, the universe creates a better idiot.
JS> >
JS> >
JS> > 
JS> 
JS> 
JS> 
JS> 
JS> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.