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

Martin Diefenbach diefenbach at chemie.uni-frankfurt.de
Wed Jun 8 13:49:44 BST 2011

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, 

Can anyone confirm this?

Just as a note: Compilation without openmp works, two full-CI testjobs 
however fail (gcc.test, h2o_gcc.test).

Dr. Martin Diefenbach
Institut für Anorganische Chemie
Goethe-Universität Frankfurt
Campus Riedberg
D-60431 Frankfurt am Main

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