Re: AMBER: Amber8 compilation in IBM-AIX

From: Nicolas Grima <Nicolas.Grima.idris.fr>
Date: Mon, 28 Jun 2004 12:55:59 +0200

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
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Tel. : 01 69 35 85 71 Fax : 01 69 85 37 75
E-Mail : grima.idris.fr
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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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Received on Mon Jun 28 2004 - 12:53:00 PDT
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