[gmx-users] errores during compilation of GROMACS 3.3.2

Erik Lindahl lindahl at cbr.su.se
Mon Oct 15 09:02:48 CEST 2007


Hi Itamar,

Not immediately. Did this work fine with 3.3.1? As far as I know we  
haven't changed anything in the ia64 assembly routines.

Cheers,

Erik

On Oct 15, 2007, at 2:16 AM, Itamar Kass wrote:

> Dear all,
>
> I am trying to compile GROMOCS 3.3.2 on Altix 3700 BX2 (Itanium2  
> 1.6GHz). I am doing something like:
>
> > ./configure --prefix=/home/564/ixk564/software/gromacs --enable- 
> shared --program-suffix=_3.3.2_double --disable-float --with-fft=fftw2
> > make -j 2
>
> and get in replay:
>
>  icc -DHAVE_CONFIG_H -I. -I../../../../src -I../../../../include - 
> DGMXLIBDIR=\"/home/564/ixk564/software/gromacs/share/top\" -I/opt/ 
> fftw-2.1.5/intel-8.1/include -O3 -tpp2 -ip -ftz -MT  
> nb_kernel010_ia64_double.lo -MD -MP -MF .deps/ 
> nb_kernel010_ia64_double.Tpo -c nb_kernel010_ia64_double.S -o  
> nb_kernel010_ia64_double.o
> <command line>:3:1: warning: "__PTRDIFF_TYPE__" redefined
> <built-in>:4:1: warning: this is the location of the previous  
> definition
> <command line>:4:1: warning: "__SIZE_TYPE__" redefined
> <built-in>:3:1: warning: this is the location of the previous  
> definition
> <command line>:3:1: warning: "__PTRDIFF_TYPE__" redefined
> <built-in>:4:1: warning: this is the location of the previous  
> definition
> <command line>:4:1: warning: "__SIZE_TYPE__" redefined
> <built-in>:3:1: warning: this is the location of the previous  
> definition
> /tmp/iccK7NleRs(/tmp/iccr4uV6Zs(1) : error A2040: Unexpected token:  
> Unary Diez Operator at: Start
> /tmp/iccr4uV6Zs(2) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(3) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(4) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(5) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(6) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(7) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(8) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(10) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(15) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(211) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(265) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(280) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(520) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccr4uV6Zs(602) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> nb_kernel030_ia64_double.o - 15 error(s), 0 warning(s)
> 1) : error A2040: Unexpected token: Unary Diez Operator at: Start
> /tmp/iccK7NleRs(2) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(3) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(4) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(5) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(6) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(7) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(8) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(10) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(15) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(194) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(196) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(270) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(433) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> /tmp/iccK7NleRs(516) : error A2040: Unexpected token: Unary Diez  
> Operator at: Start
> nb_kernel010_ia64_double.o - 15 error(s), 0 warning(s)
> make[5]: *** [nb_kernel030_ia64_double.lo] Error 1
> make[5]: *** Waiting for unfinished jobs....
> make[5]: *** [nb_kernel010_ia64_double.lo] Error 1
> make[5]: Leaving directory `/home/564/ixk564/software/gromacs-3.3.2/ 
> src/gmxlib/nonbonded/nb_kernel_ia64_double'
> make[4]: *** [all-recursive] Error 1
> make[4]: Leaving directory `/home/564/ixk564/software/gromacs-3.3.2/ 
> src/gmxlib/nonbonded'
> make[3]: *** [all-recursive] Error 1
> make[3]: Leaving directory `/home/564/ixk564/software/gromacs-3.3.2/ 
> src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/home/564/ixk564/software/gromacs-3.3.2/ 
> src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/home/564/ixk564/software/gromacs-3.3.2/ 
> src'
> make: *** [all-recursive] Error 1
>
> Do you have any idea how to overcome it?
>
> Best wishes,
> Itamar.
>
> -- 
> "Prediction is very difficult, especially about the future" - Niels  
> Bohr
>
> ===========================================
> | Itamar Kass, Ph.D.
> | Postdoctoral Research Fellow
> |
> | Molecular Dynamics Group
> | School of Molecular and Microbial Sciences (SMMS)
> | Chemistry Building (#68)
> | The University of Queensland
> | St. Lucia Campus, Brisbane, QLD 4067
> | Australia
> |
> | Tel: +61 7 3365 9922
> | Fax: +61 7 3365 3872
> | E-mail: ikass at uq.edu.au
> | Web page: http://compbio.chemistry.uq.edu.au/md/ikass/
> ============================================
>
> Unless stated otherwise, this e-mail represents only the views of  
> the Sender and not the views of The University of Queensland
>
>
> -- 
> "Prediction is very difficult, especially about the future" - Niels  
> Bohr
>
> ===========================================
> | Itamar Kass, Ph.D.
> | Postdoctoral Research Fellow
> |
> | Molecular Dynamics Group
> | School of Molecular and Microbial Sciences (SMMS)
> | Chemistry Building (#68)
> | The University of Queensland
> | St. Lucia Campus, Brisbane, QLD 4067
> | Australia
> |
> | Tel: +61 7 3365 9922
> | Fax: +61 7 3365 3872
> | E-mail: ikass at uq.edu.au
> | Web page: http://compbio.chemistry.uq.edu.au/md/ikass/
> ============================================
>
> Unless stated otherwise, this e-mail represents only the views of  
> the Sender and not the views of The University of Queensland
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