PB with ABINIT-6.0.1 installation

option, parallelism,...

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tchanier
Posts: 12
Joined: Wed Dec 16, 2009 5:29 pm

PB with ABINIT-6.0.1 installation

Post by tchanier » Tue Feb 23, 2010 1:37 am

Dear colleagues,

I am experiencing problem in the make process of ABINIT 6. For the configuration process, I put:
./configure --prefix=/home/chanier/ABINIT/ABINIT-6 --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-leopard" --enable-netcdf=yes \
--enable-libxc=yes
No error issued

And then I do make, and it issues the following :
----------------------------------------------------------------------------
/sw/openmpi-leopard/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -ffree-form -J/home/chanier/ABINIT/abinit-6.0.1/src/mods -O2 -g -ffree-line-length-none -c -o mkrho.o mkrho.F90
/sw/openmpi-leopard/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -ffree-form -J/home/chanier/ABINIT/abinit-6.0.1/src/mods -O2 -g -ffree-line-length-none -c -o mksubham.o mksubham.F90
/sw/openmpi-leopard/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -ffree-form -J/home/chanier/ABINIT/abinit-6.0.1/src/mods -O2 -g -ffree-line-length-none -c -o mlwfovlp.o mlwfovlp.F90
mlwfovlp.F90: In function 'mlwfovlp':
mlwfovlp.F90:971:0: internal compiler error: tree check: expected type_decl, have in debug_flush_symbol_queue, at final.c:4134
Please submit a full bug report,
with preprocessed source if appropriate.
See <http://gcc.gnu.org/bugs.html> for instructions.
make[3]: *** [mlwfovlp.o] Error 1
make[2]: *** [all-recursive] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2

----------------------------------------------------------------------------------------------

Is it a bug from the source code? What do I need to do to correct it?

Best regards,

Thomas Chanier

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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
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Re: PB with ABINIT-6.0.1 installation

Post by pouillon » Tue Feb 23, 2010 3:56 pm

It's a bug from the compiler. Please report it to your compiler vendor, in the present case the developers of GCC.

Regarding Abinit, you should try with another compiler.

I also guess that you're using a Mac. Building Abinit on such an architecture is usually nontrivial, and there is no systematic way to solve the issues. If you give us more information, we may be able to help you.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

tchanier
Posts: 12
Joined: Wed Dec 16, 2009 5:29 pm

Re: PB with ABINIT-6.0.1 installation

Post by tchanier » Wed Feb 24, 2010 10:57 pm

Dear Yann Pouillon,

I advance further in the configuration process. The reason was that Snow Leopard is a 64 bits architecture.

I did :
./configure --prefix=installdir FC="gfortran -m64"

In installdir/bin, Ihave : abinip, abinis and abinip. Is the parallel version already installed or do I need to specify the mpi prefix in the configuration process?

Best,

Thomas Chanier

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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
Contact:

Re: PB with ABINIT-6.0.1 installation

Post by pouillon » Thu Feb 25, 2010 2:24 pm

If you look for "enable_mpi", in config.mk or config.dump, you'll see whether MPI has been enabled.

If not, you have to specify the prefix.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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