AMBER Archive (2003)

Subject: Re: AMBER: Compiling 64-bit version on AIX

From: Nicolas Grima (Nicolas.Grima_at_idris.fr)
Date: Tue Sep 09 2003 - 02:11:03 CDT

Le Mardi 9 Septembre 2003 04:00, Pratul K. Agarwal a écrit :
> Hi,
>
> Did somebody report compiling 64-bit version on AIX? I would
> appreciate if they can give pointers to when I need to
> change in makefiles. I have added -q64 to FORTRAN
> compilers, -X 64 to ar and recompiled sys.a.
> I am still getting error messages.
>
> Specifically, I am trying to compile quasih so that it can
> handle arrays larger than 2 GB. This is the error message
> when I am getting:
>
> --- error message
> mpxlf90_r -q64 -b64 -o quasih quasih.o fileio.o thermo.o
> ../arpack/arpack.a ../lapack/lapack.a ../blas/blas.a
> ../lib/rfree.o ../lib/matinv.o ../lib/binpos.o
> ../lib/nxtsec.o ../lib/amopen.o ../lib/mexit.o
> /tmp/gpfs750a/pratul/AMBER/src/Machines/ibm_aix/sys.a -lblas
> ld: 0711-317 ERROR: Undefined symbol: .dscal
> ld: 0711-317 ERROR: Undefined symbol: .lsame
> ld: 0711-317 ERROR: Undefined symbol: .dcopy
> ld: 0711-317 ERROR: Undefined symbol: .ddot
> ld: 0711-317 ERROR: Undefined symbol: .dgemv
> ld: 0711-317 ERROR: Undefined symbol: .dnrm2
> ld: 0711-317 ERROR: Undefined symbol: .dswap
> ld: 0711-317 ERROR: Undefined symbol: .daxpy
> ld: 0711-317 ERROR: Undefined symbol: .dger
> ld: 0711-317 ERROR: Undefined symbol: .dspmv
> ld: 0711-317 ERROR: Undefined symbol: .dspr2
> ld: 0711-345 Use the -bloadmap or -bnoquiet option to obtain
> more information.
> make: 1254-004 The error code from the last command is 1.
>
> ----
>
> Any help will be highly appreciated.
>
> Pratul
>
>
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-- 
Hi,

all the instructions and Makefiles to install AMBER 6 and 7 on AIX machines 
are available at this URL:
http://www.msi.umn.edu/~cpsosa/ChemApps/MolMech/amber/patches/

These products have been written by Carlos P. Sosa (cpsosa_at_us.ibm.com) who 
works for IBM.

Sincerely yours,
Grima Nicolas.

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