From golla at ins.uni-bonn.de  Tue Sep  2 21:06:31 2008
From: golla at ins.uni-bonn.de (Tim Golla)
Date: Tue, 02 Sep 2008 21:06:31 +0200
Subject: [Tremolo-users] Compilation Problem
In-Reply-To: <A55C511E22AF004FB95FBCE3E3B8DFB401D72B20@EX2.d.ethz.ch>
References: <20080902115558.GA14063@ins.uni-bonn.de>
	<48BD822A.3060502@ins.uni-bonn.de>
	<A55C511E22AF004FB95FBCE3E3B8DFB401D72B20@EX2.d.ethz.ch>
Message-ID: <48BD8EB7.5080903@ins.uni-bonn.de>

Hi Hansjörg,

could you send me the output generated by the TremoloGUI configure script?
Are you able to compile other programs using Qt3?

Regards,
Tim

Seybold Hansjörg schrieb:
> thanks a lot for the answer 
> I tried to subscribe, but I think somethign went wrong, so i'll try again,
> I am using QT3 (3.3) on suse linux 10.3 x64, gcc version 4.2.3 20071030 (prerelease) (SUSE Linux), hope this helps
> to find the clue.
>
> I also tried on an older machine with suse 10.0 and gcc version 4.0.2 20050901 (prerelease) (SUSE Linux)
> but with the same problem.
>
> It would be kind to remind me when you release a new version.
> Thanks a lot for the info
> best hansjoerg
>
>
>
>
> -----Original Message-----
> From: Tim Golla [mailto:golla at ins.uni-bonn.de]
> Sent: Tue 9/2/2008 8:12 PM
> To: Seybold  Hansjörg
> Cc: Ralf Wildenhues
> Subject: Re: [Fwd: FW:]
>  
> Hi,
>
> could you give us some details concerning your configuration? Which
> Linux distribution (or Cygwin?) are you using?
>
> Tim
>   
>> ------------------------------------------------------------------------
>>
>> Betreff:
>> FW:
>> Von:
>> Seybold Hansjörg <seybold at ifb.baug.ethz.ch>
>> Datum:
>> Tue, 2 Sep 2008 12:04:08 +0200
>> An:
>> <mol at ins.uni-bonn.de>
>>
>> An:
>> <mol at ins.uni-bonn.de>
>>
>>
>> Hi!
>> I tried to post my question on the user list, but I don't know if it arrived there.
>> Hope you can help me.
>> thanks a lot hansjoerg
>>
>> -----Original Message-----
>> From: Seybold  Hansjörg
>> Sent: Fri 8/29/2008 11:05 AM
>> To: tremolo-users at ins.uni-bonn.de
>> Subject: 
>>  
>> Hi!
>> I am new on the tremolo list and i'd like to try out the MD code. 
>> I successfully downloaded the tremolo-0.5.tar.gz package and compiled it successfully  with MPI support. 
>> The make check runs through the help test but fails for the other two.
>> testing the serial code with the examples in tremolo-0.5/defaults fails when parsing the file
>> e.g. for the h2o example
>> ===============================================================================================
>> ...
>> You have: kcal / mole N_A angstrom^3
>> You want: bar
>> * 69523.497
>> / 1.4383626e-05
>>
>>
>> in ./parse.c:238: parse warning in .validates:4:43 (col 43): Ignoring validation of force_type
>> in ./parse.c:238: parse warning in .validates:5:35 (col 35): Ignoring validation of force_type
>> in ./parse.c:238: parse warning in .validates:6:36 (col 36): Ignoring validation of force_type
>> in ./parser.c:460: parse warning in .potentials:2:158 (col 190): reading integer as double
>> in ./parser.c:460: parse warning in .potentials:3:158 (col 190): reading integer as double
>> Keyword combination unknown: 2 keys: angle spme
>> error: in ./parser.c:387: parse error in .parameters:65:24 (col 46): unknown symbol
>> ================================================================================================
>> Other examples fail  due to similar reasons when parsing the files.
>> Is there a new version 0.6? and the examples already ise some new keys?
>>
>> In particular i'd like to try out the gui version, but i was not able to compile either the tremologui-0.6.tar.gz
>> or the tremologui-0.5.tar.gz
>>
>> * configure works fine
>> * make falis with the errors
>> ================================================================================================
>> ...
>> In file included from angletable.cpp:353:
>> angletable.moc:11:2: error: #error "The header file 'angletable.h' doesn't include <QObject>."
>> In file included from angletable.cpp:353:
>> angletable.moc:60: error: 'const QMetaObject AngleTable::staticMetaObject' is not a static member of 'class AngleTable'
>> angletable.moc:60: error: variable 'const QMetaObject AngleTable::staticMetaObject' has initializer but incomplete type
>> angletable.moc:65: error: prototype for 'const QMetaObject* AngleTable::metaObject() const' does not match any in class 'AngleTable'
>> angletable.h:33: error: candidate is: virtual QMetaObject* AngleTable::metaObject() const
>> angletable.moc:65: error: 'const QMetaObject* AngleTable::metaObject() const' cannot be overloaded
>> ...
>> ==================================================================================================
>> perhaps you can give me some hints how i can get the gui running.
>>
>> thanks a lot hansjoerg
>>
>>
>>
>>
>>
>>
>>
>>   
>>     
>
>
>
>   



From golla at ins.uni-bonn.de  Wed Sep  3 09:29:17 2008
From: golla at ins.uni-bonn.de (Tim Golla)
Date: Wed, 03 Sep 2008 09:29:17 +0200
Subject: [Tremolo-users] [Fwd: RE: Compilation Problem solved]
Message-ID: <48BE3CCD.60409@ins.uni-bonn.de>



-------- Original-Nachricht --------
Betreff: 	RE: Compilation Problem solved
Datum: 	Wed, 3 Sep 2008 09:27:35 +0200
Von: 	Seybold Hansjörg <seybold at ifb.baug.ethz.ch>
An: 	Tim Golla <golla at ins.uni-bonn.de>
Referenzen: 	<20080902115558.GA14063 at ins.uni-bonn.de>
<48BD822A.3060502 at ins.uni-bonn.de>
<A55C511E22AF004FB95FBCE3E3B8DFB401D72B20 at EX2.d.ethz.ch>
<48BD8EB7.5080903 at ins.uni-bonn.de>



Hello!
I found the error. The problem was that the configure found a qt3 installation, but did not use the corresponding
moc to compile the code, so it tried to compile with the qt4 version. after changing all makefiles to the right path i succeeded to compile the gui.
Here the complete discription of the changes (for the mailing list)
------------------------------------------------------------------------------------------------
- on suse 10.3(x64) qt3 is installed in /usr/lib64/qt3, binaries are under /usr/lib64/qt3/bin/
- the configure file  finds the qt3 path but does not include the qt3 binary path.
- Chgange the Makefile, src/Makefile, (doc/Makefile) and replace the line

MOC = /bin/moc with MOC = /usr/lib64/qt3/bin/moc

if you have qt3 installed in another path modify the line accordingly.
then make compiles the guy
------------------------------------------------------------------------------------------------
Sorry for the inconvenience and thanks a lot for the help. 
It would be nice to keep me up to date about the new version of tremolo.

best hansjoerg

-----Original Message-----
From: Tim Golla [mailto:golla at ins.uni-bonn.de]
Sent: Tue 9/2/2008 9:06 PM
To: Seybold  Hansjörg
Cc: tremolo-users at ins.uni-bonn.de
Subject: Re: Compilation Problem
 
Hi Hansjörg,

could you send me the output generated by the TremoloGUI configure script?
Are you able to compile other programs using Qt3?

Regards,
Tim

Seybold Hansjörg schrieb:
> thanks a lot for the answer 
> I tried to subscribe, but I think somethign went wrong, so i'll try again,
> I am using QT3 (3.3) on suse linux 10.3 x64, gcc version 4.2.3 20071030 (prerelease) (SUSE Linux), hope this helps
> to find the clue.
>
> I also tried on an older machine with suse 10.0 and gcc version 4.0.2 20050901 (prerelease) (SUSE Linux)
> but with the same problem.
>
> It would be kind to remind me when you release a new version.
> Thanks a lot for the info
> best hansjoerg
>
>
>
>
> -----Original Message-----
> From: Tim Golla [mailto:golla at ins.uni-bonn.de]
> Sent: Tue 9/2/2008 8:12 PM
> To: Seybold  Hansjörg
> Cc: Ralf Wildenhues
> Subject: Re: [Fwd: FW:]
>  
> Hi,
>
> could you give us some details concerning your configuration? Which
> Linux distribution (or Cygwin?) are you using?
>
> Tim
>   
>> ------------------------------------------------------------------------
>>
>> Betreff:
>> FW:
>> Von:
>> Seybold Hansjörg <seybold at ifb.baug.ethz.ch>
>> Datum:
>> Tue, 2 Sep 2008 12:04:08 +0200
>> An:
>> <mol at ins.uni-bonn.de>
>>
>> An:
>> <mol at ins.uni-bonn.de>
>>
>>
>> Hi!
>> I tried to post my question on the user list, but I don't know if it arrived there.
>> Hope you can help me.
>> thanks a lot hansjoerg
>>
>> -----Original Message-----
>> From: Seybold  Hansjörg
>> Sent: Fri 8/29/2008 11:05 AM
>> To: tremolo-users at ins.uni-bonn.de
>> Subject: 
>>  
>> Hi!
>> I am new on the tremolo list and i'd like to try out the MD code. 
>> I successfully downloaded the tremolo-0.5.tar.gz package and compiled it successfully  with MPI support. 
>> The make check runs through the help test but fails for the other two.
>> testing the serial code with the examples in tremolo-0.5/defaults fails when parsing the file
>> e.g. for the h2o example
>> ===============================================================================================
>> ...
>> You have: kcal / mole N_A angstrom^3
>> You want: bar
>> * 69523.497
>> / 1.4383626e-05
>>
>>
>> in ./parse.c:238: parse warning in .validates:4:43 (col 43): Ignoring validation of force_type
>> in ./parse.c:238: parse warning in .validates:5:35 (col 35): Ignoring validation of force_type
>> in ./parse.c:238: parse warning in .validates:6:36 (col 36): Ignoring validation of force_type
>> in ./parser.c:460: parse warning in .potentials:2:158 (col 190): reading integer as double
>> in ./parser.c:460: parse warning in .potentials:3:158 (col 190): reading integer as double
>> Keyword combination unknown: 2 keys: angle spme
>> error: in ./parser.c:387: parse error in .parameters:65:24 (col 46): unknown symbol
>> ================================================================================================
>> Other examples fail  due to similar reasons when parsing the files.
>> Is there a new version 0.6? and the examples already ise some new keys?
>>
>> In particular i'd like to try out the gui version, but i was not able to compile either the tremologui-0.6.tar.gz
>> or the tremologui-0.5.tar.gz
>>
>> * configure works fine
>> * make falis with the errors
>> ================================================================================================
>> ...
>> In file included from angletable.cpp:353:
>> angletable.moc:11:2: error: #error "The header file 'angletable.h' doesn't include <QObject>."
>> In file included from angletable.cpp:353:
>> angletable.moc:60: error: 'const QMetaObject AngleTable::staticMetaObject' is not a static member of 'class AngleTable'
>> angletable.moc:60: error: variable 'const QMetaObject AngleTable::staticMetaObject' has initializer but incomplete type
>> angletable.moc:65: error: prototype for 'const QMetaObject* AngleTable::metaObject() const' does not match any in class 'AngleTable'
>> angletable.h:33: error: candidate is: virtual QMetaObject* AngleTable::metaObject() const
>> angletable.moc:65: error: 'const QMetaObject* AngleTable::metaObject() const' cannot be overloaded
>> ...
>> ==================================================================================================
>> perhaps you can give me some hints how i can get the gui running.
>>
>> thanks a lot hansjoerg
>>
>>
>>
>>
>>
>>
>>
>>   
>>     
>
>
>
>