Re: [AMBER] MPI Compilation problems Amber 12 on CentOS 6.2

From: Frank Thommen <structures-it.embl-heidelberg.de>
Date: Thu, 13 Jun 2013 15:27:21 +0200

On 13.06.13 14:35, David A Case wrote:
> On Thu, Jun 13, 2013, Frank Thommen wrote:
>>
>> When trying to build the serial (!) Amber[Tools]12 binaries on the
>> cluster (CentOS 6.2), I get even other compilation errors:
>>
>> [...]
>> In file included from
>> /g/software/linux/pack/gcc-4.4/bin/../lib/gcc/x86_64-unknown-linux-gnu/4.4.4/../../../../include/c++/4.4.4/bits/localefwd.h:42,
>> from
>> /g/software/linux/pack/gcc-4.4/bin/../lib/gcc/x86_64-unknown-linux-gnu/4.4.4/../../../../include/c++/4.4.4/string:45,
>> from MTKException.h:11,
>> from MTKException.cpp:8:
>> /g/software/linux/pack/gcc-4.4/bin/../lib/gcc/x86_64-unknown-linux-gnu/4.4.4/../../../../include/c++/4.4.4/x86_64-unknown-linux-gnu/bits/c++locale.h:52:
>> error: 'uselocale' was not declared in this scope
>
> Again, it seems to be the string library that causes problems. You could of
> course google the error message (add CentOS 6.2 to the search string) to see
> if this is a known problem. It doesn't seem(?) to be related to Amber code.
>
> A workaround is to try adding the -nomtkpp flag to configure, but I'm guessing
> you will get similar errors elsewhere.
>
> ....dac


Hi David,

thanks. I could solve the problem by using the gcc (4.4.6) compiler
provided by LSF which is probably the same that has been used to compile
the LSF provided MPI build. Now compilation and installation seem to
work fine and I'll proceed to testing.

Lesson learned: For MPI binaries always use the compiler that was used
to compile MPI itself.

Thanks for help and pointers.

frank

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Received on Thu Jun 13 2013 - 06:30:03 PDT
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