From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Fri Apr 28 2017 - 10:36:12 CDT
For the completeness of information, I should add that this was also the
solution for the compilation of NAMD 2.13 nightly build from 27.04.
Best wishes
Vlad
On 04/28/2017 05:24 PM, Vlad Cojocaru wrote:
> Don't know if needed but I also added it to the charm build .....
>
>
>
> On 04/28/2017 05:23 PM, Vlad Cojocaru wrote:
>> Dear Dave,
>>
>> Yes, just about to write the solution when I saw your email .....
>> indeed, adding "-std=c++11" as compiler option solved the issue with
>> NAMD 2.12
>>
>> Cheers
>> Vlad
>>
>> On 04/28/2017 05:15 PM, David Hardy wrote:
>>> Dear Vlad,
>>>
>>> I would try adding -std=c++11 flag to the compiler option list to
>>> see if the compiler will catch the C++ 11 conventions as advertised.
>>>
>>> If this doesn't work, is it possible for you to upgrade your GCC
>>> installation?
>>>
>>> It appears that the use of "auto" typing is pervasive through the
>>> code. You might want to verify that changing the first instance is
>>> in fact solving your compile issue, i.e.,
>>>
>>> in ComputeQM.C line 664, change "auto" to "void *"
>>>
>>> and then see if recompiling knocks out the first two errors.
>>>
>>> Best regards,
>>> Dave
>>>
>>>
>>>> On Apr 28, 2017, at 9:14 AM, Vlad Cojocaru
>>>> <vlad.cojocaru_at_mpi-muenster.mpg.de
>>>> <mailto:vlad.cojocaru_at_mpi-muenster.mpg.de>> wrote:
>>>>
>>>> Dear Joshua, Dear Dave,
>>>>
>>>> Thanks for your suggestions ... Removing "gfortran" from the charm
>>>> compilation does not change anything... Also, mpicxx points to g++
>>>> 4.8.5. I also tried to compile the new 2.13 nightly build code and
>>>> I got completely different errors, so I guess I will first try to
>>>> get 2.12 working ...
>>>>
>>>> Best
>>>> Vlad
>>>>
>>>> On 04/27/2017 07:36 PM, David Hardy wrote:
>>>>> Dear Vlad,
>>>>>
>>>>> Have you verified that mpicxx is in fact wrapping gcc 4.8.5? Looks
>>>>> like "mpicxx -showme" will tell you.
>>>>>
>>>>> Compilation appears to be failing on the auto-typed variables, but
>>>>> according to
>>>>> https://gcc.gnu.org/projects/cxx-status.html
>>>>> <https://urldefense.proofpoint.com/v2/url?u=https-3A__gcc.gnu.org_projects_cxx-2Dstatus.html&d=DwMD-g&c=8hUWFZcy2Z-Za5rBPlktOQ&r=cCnbnDbBv_O0m2oP3VzZwpeeKpMkzLjk2HDqfuC9GM4&m=MAnLjZOTrJLBX7kgYTl7DVKKTdzOHV5D7AC4uEk_X_Q&s=PCDjVvLzXPZMq78kJu8GgNps7J9Qn0258WljU2i1O0A&e=>
>>>>> it should be supported for gcc 4.4 and above.
>>>>>
>>>>> You would reduce some warnings by explicitly setting -std=c++11
>>>>> compiler option.
>>>>>
>>>>> Best regards,
>>>>> Dave
>>>>>
>>>>>
>>>>>> On Apr 27, 2017, at 11:37 AM, Vermaas, Joshua
>>>>>> <Joshua.Vermaas_at_nrel.gov <mailto:Joshua.Vermaas_at_nrel.gov>> wrote:
>>>>>>
>>>>>> Hi Vlad,
>>>>>>
>>>>>> The first thing I would try is to recompile charm 6.7.1 without
>>>>>> specifying a fortran compiler. This was a few years ago, but I
>>>>>> remember
>>>>>> that causing some issues that were similarly hard to diagnose when
>>>>>> putting NAMD together, which has no fortran components.
>>>>>>
>>>>>> -Josh
>>>>>>
>>>>>> On 04/27/2017 09:40 AM, Vlad Cojocaru wrote:
>>>>>>> Dear all,
>>>>>>>
>>>>>>> Compiling NAMD 2.12 on a linux x86_64 linux platform with gcc
>>>>>>> 4.8.5,
>>>>>>> openmpi 2.1.0, charm 6.7.1, fftw3 fails with the attached error
>>>>>>> message.
>>>>>>> The problematic source file appears to be ComputeQM.C ....
>>>>>>>
>>>>>>> Any advices on how to fix this would be highly appreciated.
>>>>>>>
>>>>>>> Best wishes
>>>>>>> Vlad
>>>>>>>
>>>>>>
>>>>>
>>>>
>>>> --
>>>> Vlad Cojocaru, Ph.D., Project Group Leader
>>>> Department of Cell and Developmental Biology
>>>> Max Planck Institute for Molecular Biomedicine
>>>> Röntgenstrasse 20, 48149 Münster, Germany
>>>> Tel: +49-251-70365-324; Fax: +49-251-70365-399
>>>> Email: vlad.cojocaru[at]mpi-muenster.mpg.de <http://mpi-muenster.mpg.de>
>>>> http://www.mpi-muenster.mpg.de/43241/cojocaru
>>>
>>
>> --
>> Vlad Cojocaru, Ph.D., Project Group Leader
>> Department of Cell and Developmental Biology
>> Max Planck Institute for Molecular Biomedicine
>> Röntgenstrasse 20, 48149 Münster, Germany
>> Tel: +49-251-70365-324; Fax: +49-251-70365-399
>> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
>> http://www.mpi-muenster.mpg.de/43241/cojocaru
>
> --
> Vlad Cojocaru, Ph.D., Project Group Leader
> Department of Cell and Developmental Biology
> Max Planck Institute for Molecular Biomedicine
> Röntgenstrasse 20, 48149 Münster, Germany
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
> http://www.mpi-muenster.mpg.de/43241/cojocaru
-- Vlad Cojocaru, Ph.D., Project Group Leader Department of Cell and Developmental Biology Max Planck Institute for Molecular Biomedicine Röntgenstrasse 20, 48149 Münster, Germany Tel: +49-251-70365-324; Fax: +49-251-70365-399 Email: vlad.cojocaru[at]mpi-muenster.mpg.de http://www.mpi-muenster.mpg.de/43241/cojocaru
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