6.15 bigdft fallback linking

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6.15 bigdft fallback linking

Post by mverstra » Thu Apr 26, 2012 11:29 pm

Hello all,

the latest version of abinit dev does not compile with bigdft support on my Mac. The problem is 2fold:

1) there are 2 files called locreg.F90 and logReg.F90 (resp in init/ and linear/) - this is very bad form big dfters, and confuses my mac who doesn't really know if it should be case sensitive or not.

2) the default archiving order in libbigdft.a is incorrect and init/locreg.o should come after linear/locReg.o - most compilers appear to deal with this ok, but gfortran 4.5 on mac osx 10.6.8 does not. Perhaps the compilation flags are too picky:

Code: Select all

gfortran -I. -Imodules -I../src/modules -IPSolver -I./PSolver -I./wavelib -I./convolutions -I../libABINIT/src  -ffree-form -g -ffree-line-length-none -Wstrict-aliasing=2 -fPIC -g -Wall -pedantic -march=native -funroll-loops -O3 -ffast-math -fgcse-lm -fgcse-sm -ffast-math -ftree-vectorize -fexternal-blas -fbounds-check -finit-integer=-666 -finit-real=zero -ffree-line-length-0  -O2 -mtune=native -march=native -mfpmath=sse -g -O2 -I/Users/mverstra/CODES/ABINIT/abinitrepository/6.15.0-private/tmp-gfortran/fallbacks/exports/include -c -o locreg.o  `test -f 'init/locreg.f90' || echo './'`init/locreg.f90

Perhaps the mac ranlib is at fault, but no other code complains, and inverting the "ar" order fixes the problem...


Matthieu Verstraete
University of Liege, Belgium

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Re: 6.15 bigdft fallback linking

Post by jbeuken » Fri Apr 27, 2012 9:59 pm

Hi Matth,

there are a lot of problems with BigDFT : with intel 11.1, xlf12 and gcc45/mingw/Windows
(on testfarm, bigdft tests are temporarily disabled on slaves coba2, woopy and ibm6 )
the problem of loc[rR]eg is already signaled to Damien
some other problems may be solved in BigDFT : not yet time to test...


Jean-Michel Beuken
Computer Scientist