[molpro-user] compilation failure with PGI 11.4 and openmp

Martin Diefenbach diefenbach at chemie.uni-frankfurt.de
Wed Jun 8 14:11:52 BST 2011


Andy, Reuti,

Thanks for the replies! I'll use 10.9 in the meanwhile then.

Martin

On Wed, 8 Jun 2011, Andy May wrote:

> Martin,
>
> The gcc and h2o_gcc failures I know about, and are already fixed on our 
> master branch. I'm currently testing an update for 2010.1 with this change, 
> all being well this should be available by the end of the week.
>
> I'll make a bug report about the Portland/CUDA problem, but unfortunately the 
> author of the code is no longer responding to emails. Temporarily I suggest 
> to either not use openmp, or use the older compiler.
>
> Best wishes,
>
> Andy
>
> On 08/06/11 13:49, Martin Diefenbach wrote:
>> Hi all,
>> 
>> after an upgrade of the pgf90 compiler from PGI-10.9 to 11.4, the Molpro
>> 2010.1 source code (PL21) compiles with errors in src/cuda:
>> 
>> $ ./configure -batch -mpp -mppbase ../ga-4-3-3 \
>> -blaspath /cm/shared/apps/pgi/linux86-64/11.4/lib \
>> -openmp -pgf90 -pgcc
>> 
>> $ make
>> ...
>> compiling grid_block.cpp failed
>> PGCC-S-0000-Internal compiler error.
>> union_find_last_lp_per_handler:empty throw_bih 0
>> (../boost/checked_delete.hpp: 299)
>> PGCC/x86 Linux 11.4-0: compilation completed with severe errors
>> 
>> These same messages occur at dfti_manager.cpp,
>> vectorized_dfti_worker.cpp, pdf_dfti_manager.cpp.
>> 
>> Can anyone confirm this?
>> 
>> Just as a note: Compilation without openmp works, two full-CI testjobs
>> however fail (gcc.test, h2o_gcc.test).
>> 
>> Thanks,
>> Martin
>>



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