[CP2K:3551] Re: Installing problem with tamc_run.o

Iain Bethune ibet... at epcc.ed.ac.uk
Sun Oct 23 22:44:21 CEST 2011


Hi, maybe it is a timout - I was just referring to the result of the online regtester e.g. http://cp2k.berlios.de/regression_tests/popt/x86_64/g95/regtest-1.txt

Cheers

- Iain

--

Iain Bethune
Applications Consultant, EPCC

Email: ibet... at epcc.ed.ac.uk
Tel/Fax: +44 (0)131 650 5201/6555
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On 23 Oct 2011, at 08:57, Teodoro Laino wrote:

> With my gfortran it goes through - I assume the regtest is failing because of execution time limit in the test.
> I asked Alin if he could shrink the regtest further: I worked on it a bit more but can't go below 120 sec on a dedicated usage of cpu.
> 
> Maybe Alin, you can provide something quicker based on SE or FIST.
> 
> Iain: of course if you have a crash and a more precise error please post it.
> Teo
> 
> On Oct 23, 2011, at 7:27 AM, Iain Bethune wrote:
> 
>> On a (possibly) related note, the TAMC/regtest/dimer.inp.out regtest has been failing since the TAMC code was checked in - I only spotted this when running regtests against my recent checkins...  guess you already know this, but it looks a bit ugly!
>> 
>> - Iain
>> 
>> --
>> 
>> Iain Bethune
>> Applications Consultant, EPCC
>> 
>> Email: ibet... at epcc.ed.ac.uk
>> Tel/Fax: +44 (0)131 650 5201/6555
>> Mob: +44 (0)7598317015
>> Addr: 2404 JCMB, The King's Buildings, Mayfield Road, Edinburgh, EH9 3JZ
>> 
>> 
>> 
>> 
>> 
>> On 22 Oct 2011, at 12:50, Teodoro Laino wrote:
>> 
>>> Hi Alin
>>> 
>>> I know but compilers take lots of time to adopt the correct standard. Meanwhile we prefer to have code as much as possible compilable.
>>> That's the reason why you will find only few.. very few places (less than 5) where we use pointers with intent.
>>> Moreover, if you use that, it must be highly consistent. My experience is that gfortran is too permissive and this leads unavoidably to non-transferable code.
>>> In your case I really do not see the necessity of having the intent. That's why I've just removed that (hopefully it should be ok now).
>>> 
>>> Best,
>>> Teo
>>> 
>>> On Oct 22, 2011, at 1:34 PM, Alin Marin Elena wrote:
>>> 
>>>> On Saturday 22 October 2011 12:55:35 Teodoro Laino wrote:
>>>>> OK- can you try again?
>>>>> I've totally cleaned-up the INTENT with POINTER - no idea why there were
>>>>> there... Teo
>>>> Hi Teo,
>>>> 
>>>> I am little bit puzzled... by the error... pointer arguments can have intents 
>>>> as of fortran2003 standard... I do not doubt that I may have been sloppy with 
>>>> using them but I am still surprised that ifort 12 and both gfortran 4.5 and 
>>>> 4.6, passed the code as valid... 
>>>> I will check my code and send you a patched version with intents removed for 
>>>> pointers.
>>>> 
>>>> Alin
>>>> 
>>>> 
>>>>> 
>>>>> On Oct 22, 2011, at 12:03 PM, joanyi Chen wrote:
>>>>>> Hi Teo,
>>>>>> 
>>>>>> Thank you!
>>>>>> 
>>>>>> The error is getting smaller!
>>>>>> 
>>>>>> Here's the error after using the new code.
>>>>>> 
>>>>>> fortcom: Error: /home/jnch/cp2k/makefiles/../src/tamc_run.F, line
>>>>>> 1035: A pointer dummy argument with the INTENT(IN) attribute shall not
>>>>>> appear as an actual argument if the associated dummy argument has the
>>>>>> INTENT(OUT) or INTENT(INOUT) attribute.   [AVERAGES]
>>>>>> 
>>>>>>  CALL
>>>>>> 
>>>>>> HMCsampler(globenv,force_env,averages,r,mc_par,simpar,moves,gmoves,rng_str
>>>>>> eam_mc,output_unit,fz,zbuff,error=error)
>>>>>> ----------------------------------------^
>>>>>> compilation aborted for /home/jnch/cp2k/makefiles/../src/tamc_run.F
>>>>>> (code 1)
>>>>>> make[1]: *** [tamc_run.o] Error 1
>>>>>> 
>>>>>> Thanks for your reply!
>>>>>> 
>>>>>> Joan
>>>>>> 
>>>>>> On 10月22日, 下午4時23分, Teodoro Laino <teodor... at gmail.com> wrote:
>>>>>>> Hi Joan and Alin,
>>>>>>> 
>>>>>>> I guess there was a wild usage of INTENTs in the original source code.
>>>>>>> I've just fixed that. Can you please check if its compiling properly now?
>>>>>>> 
>>>>>>> Thanks
>>>>>>> Teo
>>>>>>> 
>>>>>>> On Oct 21, 2011, at 6:27 PM, joanyi Chen wrote:
>>>>>>>> Dear all,
>>>>>>>> 
>>>>>>>> I try to install cp2k on Linux-SUSE and encoutered some problems.
>>>>>>>> 
>>>>>>>> Here is the error during compiling.
>>>>>>>> 
>>>>>>>> fortcom: Error: /home/jnch/cp2k/makefiles/../src/tamc_run.F, line
>>>>>>>> 1036: A pointer dummy argument with the INTENT(IN) attribute shall not
>>>>>>>> appear as an actual argument if the associated dummy argument has the
>>>>>>>> INTENT(OUT) or INTENT(INOUT) attribute.   [AVERAGES]
>>>>>>>> 
>>>>>>>> CALL HMCsampler
>>>>>>>> 
>>>>>>>> (globenv,force_env,averages,r,mc_par,simpar,move,gmoves,rng_stream_mc,ou
>>>>>>>> tpu-t_unit,fz,zbuff,error=error)
>>>>>>>> -----------------------------------------^
>>>>>>>> fortcom: Error: /home/jnch/cp2k/makefiles/../src/tamc_run.F, line
>>>>>>>> 1036: This name does not have a type, and must have an explicit
>>>>>>>> type.   [MOVE]
>>>>>>>> 
>>>>>>>> CALL HMCsampler
>>>>>>>> 
>>>>>>>> (globenv,force_env,averages,r,mc_par,simpar,move,gmoves,rng_stream_mc,ou
>>>>>>>> tpu-t_unit,fz,zbuff,error=error)
>>>>>>>> ------------------------------------------------------------------^
>>>>>>>> fortcom: Error: /home/jnch/cp2k/makefiles/../src/tamc_run.F, line
>>>>>>>> 1036: A pointer dummy argument with the INTENT(IN) attribute shall not
>>>>>>>> appear as an actual argument if the associated dummy argument has the
>>>>>>>> INTENT(OUT) or INTENT(INOUT) attribute.   [GMOVES]
>>>>>>>> 
>>>>>>>> CALL HMCsampler
>>>>>>>> 
>>>>>>>> (globenv,force_env,averages,r,mc_par,simpar,move,gmoves,rng_stream_mc,ou
>>>>>>>> tpu-t_unit,fz,zbuff,error=error)
>>>>>>>> -----------------------------------------------------------------------
>>>>>>>> ^
>>>>>>>> fortcom: Error: /home/jnch/cp2k/makefiles/../src/tamc_run.F, line
>>>>>>>> 1036: A pointer dummy argument may only be argument associated with a
>>>>>>>> pointer.   [MOVE]
>>>>>>>> 
>>>>>>>> CALL HMCsampler
>>>>>>>> 
>>>>>>>> (globenv,force_env,averages,r,mc_par,simpar,move,gmoves,rng_stream_mc,ou
>>>>>>>> tpu-t_unit,fz,zbuff,error=error)
>>>>>>>> ------------------------------------------------------------------^
>>>>>>>> compilation aborted for /home/jnch/cp2k/makefiles/../src/tamc_run.F
>>>>>>>> (code 1)
>>>>>>>> make[1]: *** [tamc_run.o] Error 1
>>>>>>>> 
>>>>>>>> I tried some ways to modify the tamc_run.F file, by erasing
>>>>>>>> "averages","gmoves" and "move" in the file. Obviously, I'm too naive :
>>>>>>>> -)
>>>>>>>> I also tried to edit the arch file by adding
>>>>>>>> tamc_run.o: tamc_run.F
>>>>>>>> 
>>>>>>>>   $(FC) -c $(FCFLAGS2) $<
>>>>>>>> 
>>>>>>>> from the information provided by intel
>>>>>>>> http://software.intel.com/en-us/articles/build-cp2k-using-intel-fortr...
>>>>>>>> (I read the part of "Known Issues or Limitations", and assumed this
>>>>>>>> command would pass the tamc_run.F )
>>>>>>>> Still, in vain. What else can I deal with it?
>>>>>>>> 
>>>>>>>> Thank you very much!
>>>>>>>> 
>>>>>>>> Joan
>>>>>>>> 
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>>>> -- 
>>>> Without Questions there are no Answers!
>>>> ______________________________________________________________________
>>>> Alin Marin ELENA
>>>> Advanced Molecular Simulation Research Laboratory
>>>> School of Physics, University College Dublin
>>>> ----
>>>> Ardionsamblú Móilíneach Saotharlann Taighde
>>>> Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath
>>>> 
>>>> -----------------------------------------------------------------------------------
>>>> http://alin.elenaworld.net
>>>> ______________________________________________________________________
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