[gmx-users] errores during compilation of GROMACS 3.3.2

Mon Oct 15 13:25:26 CEST 2007

Hi,

But did you get exactly the same error message? (then the problem is  
likely in the IAS assembler)

Cheers,

Erik

On Oct 15, 2007, at 12:04 PM, Itamar Kass wrote:

> HI Erik,
>
> I tried this without any success. Thanks for the time.
>
> Itamar
>
>
> -----Original Message-----
> From: gmx-users-bounces at gromacs.org on behalf of Erik Lindahl
> Sent: Mon 10/15/2007 19:08
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] errores during compilation of GROMACS 3.3.2
>
> Hi,
>
> Could you try without optimization flags? Go to src/gmxlib/nonbonded/
> nb_kernel_ia64_double and type
>
> make nb_kernel010_ia64_double.lo CFLAGS="-O0"
>
> It would also be useful to try running just (1) icc and (2) ias on
> the corresponding .S file.
>
>
> This is probably something non-trivial that has changed in the intel
> compiler or assembler lately...
>
>
> Cheers,
>
> Erik
>
> On Oct 15, 2007, at 10:34 AM, Itamar Kass wrote:
>
>>
>> Dear Erik,
>>
>> I had compiled the 3.3.1 on the same machine. The sys admin of this
>> machine is been able to compile 3.3.2 using the gnu compiler but
>> has problems with the intel one as well.
>>
>> Best,
>> Itamar
>>
>> -----Original Message-----
>> From: gmx-users-bounces at gromacs.org on behalf of Erik Lindahl
>> Sent: Mon 10/15/2007 17:02
>> To: Discussion list for GROMACS users
>> Subject: Re: [gmx-users] errores during compilation of GROMACS 3.3.2
>>
>> 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/ixk56sr4/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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