AMBER Archive (2004)

Subject: Re: AMBER: Amber8 compilation in IBM-AIX

From: Nicolas Grima (Nicolas.Grima_at_idris.fr)
Date: Mon Jun 28 2004 - 10:13:32 CDT

xlC is the C++ compiler. It should be in this directory /usr/vacpp/bin/xlC.
Perhaps your environment variable PATH is not completed (echo $PATH to
verify).
If it is not, verify that you have xlC in the directory /usr/vacpp/bin and
after that add the pathname "/usr/vacpp/bin" in the PATH :

(ksh) export PATH=/usr/vacpp/bin:${PATH}
(csh) setenv PATH /usr/vacpp/bin:${PATH}

And restart the compilation ...

Best wishes,
Nicolas.

Le lundi 28 Juin 2004 16:39, Jiten a écrit :
> Hai Nicolas Grima,
>
> It goes little further. But this time different error massage as follows.
> Could you suggest me what I need more.
> mv divcon ../../exe
> cd antechamber; make install
> xlc -c -O2 -DCLINK_PLAIN -o am1bcc.o am1bcc.c
> xlc -O2 am1bcc.o -lm -o am1bcc
> xlc -c -O2 -DCLINK_PLAIN -o antechamber.o antechamber.c
> xlc -O2 antechamber.o -lm -o antechamber
> xlc -c -O2 -DCLINK_PLAIN -o atomtype.o atomtype.c
> xlc -O2 atomtype.o -lm -o atomtype
> xlC -c -DCLINK_PLAIN -o bondtype.o bondtype.C
> xlC: not found
>
> make: 1254-004 The error code from the last command is 1.
>
>
> Stop.
> make: 1254-004 The error code from the last command is 2.
>
>
> Stop.
>
> Best wishes,
>
> Jiten
>
> ----- Original Message -----
> From: "Nicolas Grima" <Nicolas.Grima_at_idris.fr>
> To: "Jiten" <jiten_at_postech.ac.kr>
> Cc: <amber_at_scripps.edu>
> Sent: Monday, June 28, 2004 7:55 PM
> Subject: Re: AMBER: Amber8 compilation in IBM-AIX
>
> > Hi Jiten,
> >
> > I had the same problem last week on our IBM machine (Power4-p690-p655,
>
> AIX5.2,
>
> > 64bits mod by default, more details on http://www.idris.fr).
> > I made these changes in the "configure" file in the IBM AIX part and now
>
> it
>
> > works :
> > ## add -llapack in loadlib
> > loadlib="$loadlib -L/usr/local/lib -llapack"
> > ## change sysdir='Machines/ibm_aix' by
> > sysdir='lib'
> > ## remove "-traditional"
> > fpp='/lib/cpp'
> > ## if you are in AIX 5.2 add -I/usr/lpp/ppe.poe/include/thread64
> > fpp="$fpp -I/usr/lpp/ppe.poe/include/thread64"
> > ## if you are in 64 bits by default change
>
> fc='mpxlf90_r -bmaxdata:0x80000000'
>
> > by
> > fc='mpxlf90_r'
> >
> > This is for the serial and parallel version.
> >
> > Best reagards,
> >
> > Nicolas Grima
> > --------------------------------------------------------------------
> > Adress : CNRS/IDRIS - Bât. 506 - BP 167 - 91403 ORSAY Cedex - FRANCE
> > Tel. : 01 69 35 85 71 Fax : 01 69 85 37 75
> > E-Mail : grima_at_idris.fr
> > WWW : http://www.idris.fr
> > --------------------------------------------------------------------
> >
> > Le lundi 28 Juin 2004 11:19, Jiten a écrit :
> > > Hai all,
> > >
> > > I am trying to compile (serial) amber8 in IBM with AIX.
> > >
> > > It seems most of the modules have been comipled properly but at the end
>
> I
>
> > > got the following error. Could anybody suggest what might have gone
>
> wrong.
>
> > > Thanks in advance.
> > >
> > > 1501-510 Compilation successful for file _resp.f.
> > > cd ../lib ; ./Makelist ../lib/mexit.o ../lib/amopen.o
> > > .../lib/lapack.o Target "mexit.o" is up to date.
> > > Target "amopen.o" is up to date.
> > > /lib/cpp -traditional -P -I/edun/e953kks/amber8/src/include
> > > -DMASSLIB -DESSL -DNMLEQ -DCLINK_PLAIN -Drs6000 lapack.f > _lapack.f
> > > 1506-173 (W) Option traditional is not valid. Enter xlc for list of
>
> valid
>
> > > options. xlf90 -c -qfixed -c -o lapack.o _lapack.f
> > > ** dgetrf === End of Compilation 1 ===
> > > ** dgetrs === End of Compilation 2 ===
> > > ** dgetf2 === End of Compilation 3 ===
> > > ** dlaswp === End of Compilation 4 ===
> > > ** ilaenv === End of Compilation 5 ===
> > > ** lsame === End of Compilation 6 ===
> > > ** xerbla === End of Compilation 7 ===
> > > ** dgemm === End of Compilation 8 ===
> > > ** dger === End of Compilation 9 ===
> > > ** dscal === End of Compilation 10 ===
> > > ** dswap === End of Compilation 11 ===
> > > ** dtrsm === End of Compilation 12 ===
> > > ** idamax === End of Compilation 13 ===
> > > 1501-510 Compilation successful for file _lapack.f.
> > > cd ../Machines/ibm_aix ; make sys.a
> > > /bin/sh: ../Machines/ibm_aix: not found.
> > > make: 1254-004 The error code from the last command is 1.
> > >
> > >
> > > Stop.
> > > make: 1254-004 The error code from the last command is 2.
> > >
> > >
> > > Stop.
> > >
> > > Sincerely,
> > >
> > > N. Jiten Singh
> > > C/O Prof. Kwang S. Kim
> > > Department of Chemistry
> > > Pohang University of Science and Technology
> > > San 31, Hyojadong, Namgu
> > > Pohang 790-784, Korea
> > > Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
> > > Fax : 82-54-279-8137 (or +82-54-279-3399)
> > > Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
> > > Home Page : http://www.geocities.com/njs_19
>
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