Re: compilation of NAMD 2.12 fails

From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Fri Apr 28 2017 - 10:24:18 CDT

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

This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:21:15 CST